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The time-dependent quantum wave packet approach to the electronically nonadiabatic processes in chemical reactions
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/0471433462.ch5openalex-snapshot
Quantum Reaction Dynamics for Multiple Electronic States
inferredcites →https://doi.org/10.1002/qua.20221openalex-snapshot
Nonadiabatic photodissociation dynamics
inferredcites →https://doi.org/10.1007/978-1-4615-8867-2openalex-snapshot
Dynamics of Molecular Collisions
inferredcites →https://doi.org/10.1007/978-1-4757-0644-4_5openalex-snapshot
Nonadiabatic Processes in Molecular Collisions
inferredcites →https://doi.org/10.1007/bf00896333openalex-snapshot
Time-dependent propagation of high energy laser beams through the atmosphere
inferredcites →https://doi.org/10.1016/0009-2614(96)00754-3openalex-snapshot
Theoretical 3D study of transition state resonances for the H + H2 reaction using two coupled diabatic potential energy surfaces
inferredcites →https://doi.org/10.1016/0010-4655(91)90270-uopenalex-snapshot
The application of time-dependent wavepacket methods to reactive scattering
inferredcites →https://doi.org/10.1016/0301-0104(87)85083-8openalex-snapshot
Proton-Hydrogen collisions:
inferredcites →https://doi.org/10.1016/j.chemphys.2004.03.026openalex-snapshot
Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P)+HCl→ClH+Cl(2P) reaction
inferredcites →https://doi.org/10.1016/j.cplett.2004.09.073openalex-snapshot
The nonadiabatic quantum dynamics of the F(2P1/2, 2P3/2) + HD reaction on modified Alexander, Stark, and Werner potential energy surfaces
inferredcites →https://doi.org/10.1021/j100045a023openalex-snapshot
Electronic-to-Vibrational and -Rotational Energy Transfer in the O(1D) + N2 Quenching Reaction: Ab Initio MO and Surface-Hopping Trajectory Studies
inferredcites →https://doi.org/10.1021/j100100a003openalex-snapshot
Exchange Processes via Electronic Nonadiabatic Transitions: An Accurate Three-Dimensional Quantum Mechanical Study of the F(2P1/2, 2P3/2) + H2 Reactive Systems
inferredcites →https://doi.org/10.1021/j100161a026openalex-snapshot
Polarized resonance Raman spectrum as a probe of nonadiabatic transitions in photodissociation: a theoretical treatment
inferredcites →https://doi.org/10.1021/j100319a003openalex-snapshot
Time-dependent quantum-mechanical methods for molecular dynamics
inferredcites →https://doi.org/10.1021/jp003092nopenalex-snapshot
Reactive and Nonreactive Quenching of OH(A 2Σ+) in Collisions with H Atoms
inferredcites →https://doi.org/10.1021/jp014312fopenalex-snapshot
Trajectory-Surface-Hopping Study of the Renner−Teller Effect in the N(2D) + H2 Reaction
inferredcites →https://doi.org/10.1021/jp0200425openalex-snapshot
Quantum Scattering Calculations of the O(1D) + N2(XΣg+) → O(3P) + N2(X1Σg+) Spin-Forbidden Electronic Quenching Collision
inferredcites →https://doi.org/10.1021/jp034680eopenalex-snapshot
Influence of Spin−Orbit Effects on Chemical Reactions: Quantum Scattering Studies for the Cl(2P) + HCl → ClH + Cl(2P) Reaction Using Coupled ab Initio Potential Energy Surfaces
inferredcites →https://doi.org/10.1021/jp036118uopenalex-snapshot
Reactivity of the Ground and Excited Spin−Orbit States for the Reaction of the F(2P3/2,2P1/2) with D2
inferredcites →https://doi.org/10.1021/jp044972vopenalex-snapshot
A Quantum Wave Packet Dynamical Study of the Electronic and Spin−Orbit Coupling Effects on the Resonances in Cl(2P) + H2 Scattering
inferredcites →https://doi.org/10.1021/jp0451391openalex-snapshot
Nonadiabatic Time-Dependent Wave Packet Study of the D+ + H2 Reaction System
inferredcites →https://doi.org/10.1021/jp049143oopenalex-snapshot
Importance of Intersystem Crossing in the S(3P, 1D) + H2 → SH + H Reaction
inferredcites →https://doi.org/10.1021/jp0520401openalex-snapshot
Quantum Wave Packet Study of the H+ + D2 Reaction on Diabatic Potential Energy Surfaces
inferredcites →https://doi.org/10.1021/jp953105aopenalex-snapshot
Multi-Electronic-State Molecular Dynamics: A Wave Function Approach with Applications
inferredcites →https://doi.org/10.1021/jp953344yopenalex-snapshot
Scattering Theory and Dynamics: Time-Dependent and Time-Independent Methods
inferredcites →https://doi.org/10.1021/jp9620734openalex-snapshot
Development of Accurate Quantum Dynamical Methods for Tetraatomic Reactions
inferredcites →https://doi.org/10.1021/jp970436+openalex-snapshot
Experimental Absolute Cross-Sections for the Reaction F + D2 at Collision Energies 90−240 meV
inferredcites →https://doi.org/10.1021/jp991601jopenalex-snapshot
Quantum Wave Packet Study of Nonadiabatic Effects in O(1D) + H2 → OH + H
inferredcites →https://doi.org/10.1021/jp9924575openalex-snapshot
Potential Energy Surface of the à State of NH2 and the Role of Excited States in the N(2D) + H2 Reaction
inferredcites →https://doi.org/10.1021/jp992985gopenalex-snapshot
Chemically Accurate ab Initio Potential Energy Surfaces for the Lowest 3A‘ and 3A‘ ‘ Electronically Adiabatic States of O(3P) + H2
inferredcites →https://doi.org/10.1039/a606570hopenalex-snapshot
Coupled potential-energy surfaces and quantum reactive scattering for the Cl(2P)+HCl→ClH+Cl(2P) reaction
inferredcites →https://doi.org/10.1039/a705888hopenalex-snapshot
Adiabatic and non-adiabatic dynamics studies of O(1D)+H2→OH+H
inferredcites →https://doi.org/10.1039/a807824fopenalex-snapshot
Reactive and nonreactive charge transfer by the FMS method: low energy H++D2 and H+H2+ collisions
inferredcites →https://doi.org/10.1039/a808183bopenalex-snapshot
Coupled ab initio potential energy surfaces for the reaction Cl(2P)+HCl→ClH+Cl(2P)
inferredcites →https://doi.org/10.1039/a908614eopenalex-snapshot
Quantum scattering on coupled ab initio potential energy surfaces for the Cl(2P)+HCl→ClH+Cl(2P) reaction
inferredcites →https://doi.org/10.1039/b007096nopenalex-snapshot
Electronically nonadiabatic transitions in a collinear H2+H+ system: Quantum mechanical understanding and comparison with a trajectory surface hopping method
inferredcites →https://doi.org/10.1039/b106963bopenalex-snapshot
Trajectory surface hopping study of the C + CH reaction
inferredcites →https://doi.org/10.1039/b313781copenalex-snapshot
Collisions of excited Na atoms with N 2 , C 2 H 2 and N 2 O molecules. Surface-hopping calculation of the Na(3p) fine structure population
inferredcites →https://doi.org/10.1039/b314189fopenalex-snapshot
Details and consequences of the nonadiabatic coupling in the Cl( 2 P) + H 2 reaction
inferredcites →https://doi.org/10.1039/b314253aopenalex-snapshot
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets
inferredcites →https://doi.org/10.1039/b314768aopenalex-snapshot
Spin-forbidden CO ligand recombination in myoglobin
inferredcites →https://doi.org/10.1039/b315217kopenalex-snapshot
Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins
inferredcites →https://doi.org/10.1039/b401167hopenalex-snapshot
Conical intersection dynamics in solution: The chromophore of Green Fluorescent Protein
inferredcites →https://doi.org/10.1039/b405601aopenalex-snapshot
Introductory lecture: Nonadiabatic effects in chemical dynamics
inferredcites →https://doi.org/10.1039/b410119gopenalex-snapshot
The dynamics of the prototype abstraction reaction Cl(2P3/2,1/2)+ H2: A comparison of crossed molecular beam experiments with exact quantum scattering calculations on coupled ab initio potential energy surfaces
inferredcites →https://doi.org/10.1039/b411046copenalex-snapshot
Rotational and alignment effects in a multisurface wavepacket calculation for the Cl + H 2 reaction
inferredcites →https://doi.org/10.1063/1.1287840openalex-snapshot
Reactive excitation functions for F+p-H2/n-H2/D2 and the vibrational branching for F+HD
inferredcites →https://doi.org/10.1063/1.1312284openalex-snapshot
Quantum scattering calculations for the electronically nonadiabatic Br(2P1/2)+H2→HBr+H reaction
inferredcites →https://doi.org/10.1063/1.1313785openalex-snapshot
Probing the effect of the H2 rotational state in O(1D)+H2→OH+H: Theoretical dynamics including nonadiabatic effects and a crossed molecular beam study
inferredcites →https://doi.org/10.1063/1.1319937openalex-snapshot
Theoretical studies of intersystem crossing effects in the O+H2 reaction
inferredcites →https://doi.org/10.1063/1.1326850openalex-snapshot
An investigation of the F+H2 reaction based on a full ab initio description of the open-shell character of the F(2P) atom
inferredcites →https://doi.org/10.1063/1.1377030openalex-snapshot
Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics
inferredcites →https://doi.org/10.1063/1.1385561openalex-snapshot
Systematic convergence in the dynamical hybrid approach for complex systems: A numerically exact methodology
inferredcites →https://doi.org/10.1063/1.1418252openalex-snapshot
Accurate quantum dynamics of electronically nonadiabatic chemical reactions in the DH2+ system
inferredcites →https://doi.org/10.1063/1.1421070openalex-snapshot
Significant improvement of the trajectory surface hopping method by the Zhu–Nakamura theory
inferredcites →https://doi.org/10.1063/1.1434988openalex-snapshot
Nonadiabatic quantum reactive scattering calculations for the O(1D)+H2, D2, and HD reactions on the lowest three potential energy surfaces
inferredcites →https://doi.org/10.1063/1.1434989openalex-snapshot
Theoretical study of the reactions of Ar++HX(v=0) and Ar+HX+(v) (X=H and D) at E=0.1 eV using the trajectory surface hopping method
inferredcites →https://doi.org/10.1063/1.1446032openalex-snapshot
New implementation of the trajectory surface hopping method with use of the Zhu–Nakamura theory. II. Application to the charge transfer processes in the 3D DH2+ system
inferredcites →https://doi.org/10.1063/1.1453404openalex-snapshot
Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions
inferredcites →https://doi.org/10.1063/1.1519005openalex-snapshot
Erratum: “Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions” [J. Chem. Phys. 116 , 5424 (2002)]
inferredcites →https://doi.org/10.1063/1.1599275openalex-snapshot
Multiconfigurational system-bath dynamics using Gaussian wave packets: Energy relaxation and decoherence induced by a finite-dimensional bath
inferredcites →https://doi.org/10.1063/1.1623481openalex-snapshot
Theoretical studies of intersystem crossing effects in the O(3P, 1D)+H2 reaction
inferredcites →https://doi.org/10.1063/1.1626537openalex-snapshot
Time-dependent quantum wave packet calculation for nonadiabatic F(2P3/2,2P1/2)+H2 reaction
inferredcites →https://doi.org/10.1063/1.1642580openalex-snapshot
Quantum and classical studies of the O(3P)+H2(v=0–3,j=0)→OH+H reaction using benchmark potential surfaces
inferredcites →https://doi.org/10.1063/1.1650302openalex-snapshot
The investigation of spin–orbit effect for the F(2P)+HD reaction
inferredcites →https://doi.org/10.1063/1.1675788openalex-snapshot
Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2
inferredcites →https://doi.org/10.1063/1.1681826openalex-snapshot
Integral cross sections for reactions of H+ with D2; New measurements
inferredcites →https://doi.org/10.1063/1.1779574openalex-snapshot
Product multiplet branching in the O(1D)+H2→OH(2Π)+H reaction
inferredcites →https://doi.org/10.1063/1.1781155openalex-snapshot
Role of the F spin-orbit excited state in the F+HD reaction: Contributions to the dynamical resonance
inferredcites →https://doi.org/10.1063/1.1784446openalex-snapshot
Angular distributions for the F+H2→HF+H reaction: The role of the F spin-orbit excited state and comparison with molecular beam experiments
inferredcites →https://doi.org/10.1063/1.1789871openalex-snapshot
Quantum calculations of the O(3P)+H2→OH+H reaction
inferredcites →https://doi.org/10.1063/1.1793991openalex-snapshot
Coherent switching with decay of mixing: An improved treatment of electronic coherence for non-Born–Oppenheimer trajectories
inferredcites →https://doi.org/10.1063/1.1805514openalex-snapshot
Nonadiabatic energy transfer studies of O(1D)+N2(X 1Σg+)→O(3P)+N2(X 1Σg+) by time-dependent wave packet
inferredcites →https://doi.org/10.1063/1.1924507openalex-snapshot
A quantum wave-packet study of intersystem crossing effects in the O(P2,1,3,D21)+H2 reaction
inferredcites →https://doi.org/10.1063/1.2181985openalex-snapshot
Nonadiabatic reactant-product decoupling calculation for the F(P1∕22)+H2 reaction
inferredcites →https://doi.org/10.1063/1.430556openalex-snapshot
Theoretical treatment of quenching in O(1D) + N2 collisions
inferredcites →https://doi.org/10.1063/1.435283openalex-snapshot
Nonadiabatic effects in the collision of F(2P) with H2(1Σg+). III. Scattering theory and coupled-channel computations
inferredcites →https://doi.org/10.1063/1.437590openalex-snapshot
Quantum mechanics of electronic–rotational energy transfer in F(2P)+H2 collisions
inferredcites →https://doi.org/10.1063/1.448254openalex-snapshot
Molecular beam studies of the F+H2 reaction
inferredcites →https://doi.org/10.1063/1.459170openalex-snapshot
Molecular dynamics with electronic transitions
inferredcites →https://doi.org/10.1063/1.459538openalex-snapshot
Time-dependent dynamics of methyl iodide photodissociation in the first continuum
inferredcites →https://doi.org/10.1063/1.462602openalex-snapshot
Three-dimensional photodissociation dynamics of methyl iodide
inferredcites →https://doi.org/10.1063/1.465063openalex-snapshot
Nonadiabatic effects in the photodissociation of H2S in the first absorption band: An ab initio study
inferredcites →https://doi.org/10.1063/1.467808openalex-snapshot
Full-dimensional time-dependent treatment for diatom–diatom reactions: The H2+OH reaction
inferredcites →https://doi.org/10.1063/1.469670openalex-snapshot
A wave packet propagation study of inelastic and reactive F+D2 scattering
inferredcites →https://doi.org/10.1063/1.471420openalex-snapshot
Translational relaxation and electronic quenching of hot O(1D) by collisions with N2
inferredcites →https://doi.org/10.1063/1.472047openalex-snapshot
A study on ion–molecule reactions in the H+3 system with the trajectory-surface-hopping model
inferredcites →https://doi.org/10.1063/1.474614openalex-snapshot
A global A-state potential surface for H2O: Influence of excited states on the O(1D)+H2 reaction
inferredcites →https://doi.org/10.1063/1.474970openalex-snapshot
Photodissociation of ozone in the Chappuis band. II. Time-dependent wave-packet calculations and interpretation of diffuse vibrational structures
inferredcites →https://doi.org/10.1063/1.475120openalex-snapshot
State-to-state reactive scattering of F+H2 in supersonic jets: Nascent rovibrational HF(v,J) distributions via direct IR laser absorption
inferredcites →https://doi.org/10.1063/1.475495openalex-snapshot
Quantum dynamics with real wave packets, including application to three-dimensional (J=0)D+H2→HD+H reactive scattering
inferredcites →https://doi.org/10.1063/1.476867openalex-snapshot
Photodissociation of ozone in the Chappuis band. III. Product state distributions
inferredcites →https://doi.org/10.1063/1.477092openalex-snapshot
Theoretical study of the reactions of Ar++H2 and Ar++HD using the trajectory surface hopping method
inferredcites →https://doi.org/10.1063/1.477192openalex-snapshot
Spin–orbit effects in the reaction of F(2P) with H2
inferredcites →https://doi.org/10.1063/1.477197openalex-snapshot
A semiclassical approach to intense-field above-threshold dissociation in the long wavelength limit. II. Conservation principles and coherence in surface hopping
inferredcites →https://doi.org/10.1063/1.478954openalex-snapshot
Theoretical study on the spin-forbidden predissociation reaction of N2O: Ab initio potential energy surfaces and quantum dynamics calculations
inferredcites →https://doi.org/10.1063/1.479214openalex-snapshot
Photodissociation dynamics of H2S on new coupled ab initio potential energy surfaces
inferredcites →https://doi.org/10.1063/1.479522openalex-snapshot
Quantum scattering study of electronic Coriolis and nonadiabatic coupling effects in O(1D)+H2→OH+H
inferredcites →https://doi.org/10.1063/1.480835openalex-snapshot
Three-dimensional quantum reactive scattering calculations for the nonadiabatic (D+H2)+ reaction system
inferredcites →https://doi.org/10.1063/1.481041openalex-snapshot
Observation of a transition state resonance in the integral cross section of the F+HD reaction
inferredcites →https://doi.org/10.1063/1.481991openalex-snapshot
Spin–orbit branching in the photodissociation of HF and DF. II. A time-dependent wave packet study of vibrationally mediated photodissociation
inferredcites →https://doi.org/10.1063/1.482075openalex-snapshot
Spin–orbit branching in the photodissociation of HF and DF. I. A time-dependent wave packet study for excitation from v=0
inferredcites →https://doi.org/10.1088/0953-4075/33/21/318openalex-snapshot
Cross sections for the reaction H++ H2(v= 0-14) →H + H2+at low collision energies
inferredcites →https://doi.org/10.1103/physrevlett.91.013201openalex-snapshot
Differential Cross Sections from Quantum Calculations on CoupledAb InitioPotential Energy Surfaces and Scattering Experiments for Cl(P2)+H2 Reactions
inferredcites →https://doi.org/10.1103/physrevlett.95.123001openalex-snapshot
Correlation Quantum Dynamics between an Electron and D2+ Molecule with Attosecond Resolution
inferredcites →https://doi.org/10.1119/1.1934059openalex-snapshot
Dynamical Theory of Crystal Lattices
inferredcites →https://doi.org/10.1146/annurev.physchem.54.011002.103750openalex-snapshot
Quantum Scattering Calculations on Chemical Reactions
inferredcites →https://doi.org/10.5860/choice.34-3864openalex-snapshot
Dynamics of molecules and chemical reactions
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4566057openalex-extracted
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inferred← citeshttps://doi.org/10.1002/andp.201300051openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/bkcs.12453openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cjoc.200790206openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cphc.201201096openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cphc.202400250openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/hc.21075openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jcc.21329openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jcc.21492openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.24666openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.24838openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.24913openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.70133openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/tcr.201510005openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/wcms.1435openalex-snapshot
Surface hopping methods for nonadiabatic dynamics in extended systems
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inferred← citeshttps://doi.org/10.1007/s00214-014-1489-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00214-014-1552-zopenalex-snapshot
Coriolis coupling effect of state-to-state quantum dynamics for He + HeH+
inferred← citeshttps://doi.org/10.1007/s00214-014-1554-xopenalex-snapshot
Quantum and quasi-classical studies of the He + HeD+ → HeD+ + He exchange reaction and its isotopic variant
inferred← citeshttps://doi.org/10.1007/s00214-016-1823-yopenalex-snapshot
Effects of initial rotational quantum state excitations and thermal rate coefficient at room temperature for the $$\hbox {H}(^{2}\hbox {S}) + \hbox {NH}(\hbox {X}^{3}\Sigma ^{-}) \rightarrow \hbox {N}(^{4}\hbox {S}) + \hbox {H}_{2}(\hbox {X}^{1}\Sigma _{g}^{+})$$ H ( 2 S ) + NH ( X 3 Σ - ) → N ( 4…
inferred← citeshttps://doi.org/10.1007/s00214-018-2233-0openalex-snapshot
Low-energy stereodynamics in the ion–molecule reactions D+ + D2/HD and H+ + H2/HD: reagent vibrational excitation effect and mass factor effect
inferred← citeshttps://doi.org/10.1007/s00894-010-0799-0openalex-snapshot
Nitrosation of malononitrile by HONO, ClNO and N2O3: A theoretical study
inferred← citeshttps://doi.org/10.1007/s00894-010-0896-0openalex-snapshot
Time-dependent density functional theory study of the excited-state dihydrogen bonding: clusters of 2-pyridone with diethylmethylsilane and triethylgermanium
inferred← citeshttps://doi.org/10.1007/s00894-011-0961-3openalex-snapshot
Theoretical study of isotope effects on the stereodynamics of H++HD and its isotopic variant D++HD
inferred← citeshttps://doi.org/10.1007/s00894-011-1131-3openalex-snapshot
Time-dependent density functional theory study on the electronic excited-state hydrogen bonding of the chromophore coumarin 153 in a room-temperature ionic liquid
inferred← citeshttps://doi.org/10.1007/s00894-012-1511-3openalex-snapshot
Intensity enhancement in the molecular ionization and dissociation dynamics in the presence of noise
inferred← citeshttps://doi.org/10.1007/s00894-012-1710-yopenalex-snapshot
Calixarene building block bis(2-hydroxyphenyl)methane (2HDPM) and hydrogen-bonded 2HDPM-H2O complex in electronic excited state
inferred← citeshttps://doi.org/10.1007/s00894-013-1797-9openalex-snapshot
The substitution reaction of (CNC)Fe−2N2 with CO
inferred← citeshttps://doi.org/10.1007/s00894-014-2151-6openalex-snapshot
Stereodynamic study of the reaction H(2S) + ClO(2Π) → HO(2Π) + Cl(2P) via quasi-classical trajectory calculations
inferred← citeshttps://doi.org/10.1007/s00894-014-2367-5openalex-snapshot
Quantum dynamics study of H + DBr and D + HBr reaction
inferred← citeshttps://doi.org/10.1007/s00894-015-2601-9openalex-snapshot
Theoretical investigation of the asymmetric molecular harmonic emission and the attosecond pulse generation
inferred← citeshttps://doi.org/10.1007/s00894-015-2634-0openalex-snapshot
Effect of collision energy on the reaction mechanism of C(3P) + OH(X 2 Π) → CO(X 1 Σ +) + H(2S)
inferred← citeshttps://doi.org/10.1007/s00894-015-2827-6openalex-snapshot
Product rotational angular momentum polarization of H + FCl (v = 0–5; j = 0, 3, 6, 9) → HF + Cl and HCl + F at Erel = 0.5–20 kcal mol−1
inferred← citeshttps://doi.org/10.1007/s10876-011-0406-2openalex-snapshot
Time-Dependent Density Functional Theory Study on the Electronic Excited State of Hydrogen-Bonded Clusters Formed by 2-Hydroxybenzonitrile (o-Cyanophenol) and Carbon Monoxide
inferred← citeshttps://doi.org/10.1007/s10876-011-0421-3openalex-snapshot
Time-Dependent Density Functional Theory Study on Excited-State Hydrogen Bonding Dynamics of Acetic Acid Hydrates
inferred← citeshttps://doi.org/10.1007/s10876-012-0516-5openalex-snapshot
A Theoretical Study on Electronically Excited States of the Hydrogen-Bonded Clusters for Fluorenone and Fluorenone Derivatives in Methanol Solvent
inferred← citeshttps://doi.org/10.1007/s10910-014-0367-4openalex-snapshot
Polarized gating assisted generation of the ultrashort extreme-ultraviolet sources
inferred← citeshttps://doi.org/10.1007/s10910-017-0732-1openalex-snapshot
Quasi-classical trajectory insight into stereodynamics for reaction $$\hbox {He}+\hbox {D}_{2}^{+}\rightarrow \hbox {HeD}^{+}+\hbox {D}$$ He + D 2 + → HeD + + D with the improved potential energy surface
inferred← citeshttps://doi.org/10.1007/s10910-018-0958-6openalex-snapshot
Coriolis coupling effects in the dynamics of the D(2S) + NH(X3Σ−) → N(4S) + HD(X1Σ g + ) reaction and its kinetic isotope effect
inferred← citeshttps://doi.org/10.1007/s11426-010-0043-xopenalex-snapshot
Quasi-classical trajectory approach to the stereo-dynamics of the reaction F + HO → HF + O
inferred← citeshttps://doi.org/10.1007/s11433-013-5251-xopenalex-snapshot
Photoassociation of NaRb with an asymmetric laser pulse
inferred← citeshttps://doi.org/10.1007/s11434-010-4201-5openalex-snapshot
Isotope effect of the stereodynamics in the reactions F+HCl→HF+Cl and F+DCl→DF+Cl
inferred← citeshttps://doi.org/10.1007/s12039-011-0063-xopenalex-snapshot
A quasiclassical trajectory analysis of stereodynamics of the H + FCl (v = 0 – 3, j = 0 – 3) → HCl + F reaction
inferred← citeshttps://doi.org/10.1007/s12039-011-0071-xopenalex-snapshot
Quasiclassical trajectory study on the integral cross-section and stereodynamics information of the reaction O ( 1 D) + H 2 (v = 0, j = 0 ) → OH + H
inferred← citeshttps://doi.org/10.1007/s12039-013-0429-3openalex-snapshot
Quasi-classical trajectory study of the reaction N(4S) + H2 and its reverse reaction: Role of initial vibrational and rotational excitations in chemical stereodynamics
inferred← citeshttps://doi.org/10.1007/s13538-014-0207-9openalex-snapshot
Theoretical Study of the Dynamic Stark Effect on Dissociation of CsI
inferred← citeshttps://doi.org/10.1016/b978-0-12-817234-6.00006-4openalex-snapshot
Foundations of Time Dependent Quantum Dynamics of Molecules Under Isolation and in Coherent Electromagnetic Fields
inferred← citeshttps://doi.org/10.1016/j.cclet.2009.11.041openalex-snapshot
The polarization dependent differential cross sections of the reactions: H+LiH+(v=0, j=0)→H2+Li+ and H++LiH(v=0, j=0)→H2++Li
inferred← citeshttps://doi.org/10.1016/j.cclet.2013.12.021openalex-snapshot
Kinetics of ring-opening polymerization of octamethylcyclotetrasiloxane in microemulsion
inferred← citeshttps://doi.org/10.1016/j.cclet.2014.01.050openalex-snapshot
A semiclassical molecular dynamics of the photochromic ring-opening reaction of spiropyran
inferred← citeshttps://doi.org/10.1016/j.chemphys.2007.06.041openalex-snapshot
Theoretical study of the stereodynamics of the reactions of D−+H2→H−+HD and H−+D2→D−+HD
inferred← citeshttps://doi.org/10.1016/j.chemphys.2008.02.034openalex-snapshot
A comparison of the stereodynamics between the reactions H+HH(D, T) and the reactions H−+HH(D, T)
inferred← citeshttps://doi.org/10.1016/j.chemphys.2008.07.015openalex-snapshot
Theoretical study of the stereodynamics of the reactions of He+H2+/HD+
inferred← citeshttps://doi.org/10.1016/j.chemphys.2009.03.019openalex-snapshot
Quasi-classical trajectory study of the reaction dynamics of Ca(1S0,3P) atoms with CHCl3
inferred← citeshttps://doi.org/10.1016/j.chemphys.2009.06.009openalex-snapshot
Theoretical study of the stereo-dynamics of the reaction H+FO→OH+F
inferred← citeshttps://doi.org/10.1016/j.chemphys.2009.08.010openalex-snapshot
Theoretical study of the stereodynamics of the reactions O(1D)+H2, D2 and HD
inferred← citeshttps://doi.org/10.1016/j.chemphys.2009.08.012openalex-snapshot
Theoretical study of stereodynamics for the O(1D)+D2→OD+D reaction
inferred← citeshttps://doi.org/10.1016/j.chemphys.2009.10.012openalex-snapshot
Theoretical insight into stereodynamics of the O(1D)+H2 (v=0–3,j=0)→OH+H reaction: A quasiclassical trajectory (QCT) study
inferred← citeshttps://doi.org/10.1016/j.chemphys.2009.12.009openalex-snapshot
Theoretical study of stereodynamics for the O(3P)+H2 (v=0–2, j=0)→OH+H reaction
inferred← citeshttps://doi.org/10.1016/j.chemphys.2010.06.028openalex-snapshot
Product polarization on the 3A″ electronic state in the H+FO reaction and its isotope variant
inferred← citeshttps://doi.org/10.1016/j.chemphys.2011.01.010openalex-snapshot
The rate constants of the H + FO reaction and its isotope variant on two electronic states
inferred← citeshttps://doi.org/10.1016/j.chemphys.2011.03.003openalex-snapshot
Coherent superposition in the coulomb explosion spectra of
inferred← citeshttps://doi.org/10.1016/j.chemphys.2011.09.006openalex-snapshot
Isotope effect of the stereodynamics for the reactions H(D)+OH(D)→O(3P)+HH(D)
inferred← citeshttps://doi.org/10.1016/j.chemphys.2012.06.001openalex-snapshot
Quantum path control on the harmonic emission in the presence of a terahertz field
inferred← citeshttps://doi.org/10.1016/j.chemphys.2012.09.011openalex-snapshot
Product rotational angular momentum polarization in the N+NH (v=0,j=0,3,6,9)→N2+H reaction
inferred← citeshttps://doi.org/10.1016/j.chemphys.2013.12.002openalex-snapshot
Effects of the collision energy on the stereodynamics of the reaction: S(3P)+H2 (v=0, j=0)→SH+H
inferred← citeshttps://doi.org/10.1016/j.chemphys.2014.02.020openalex-snapshot
Solution to a 3D atom–laser interaction problem by sine-DVR and split-operator propagator
inferred← citeshttps://doi.org/10.1016/j.chemphys.2014.07.003openalex-snapshot
The effect of initial rotation in the N(2D)+H2→NH(3Σ−)+H reaction
inferred← citeshttps://doi.org/10.1016/j.chemphys.2015.04.003openalex-snapshot
Time-dependent wave packet state-to-state quantum dynamics study of the abstraction reaction S(3P) + H2(v= 0, j= 0) on 13A″ electronic state
inferred← citeshttps://doi.org/10.1016/j.chemphys.2015.10.012openalex-snapshot
Nonadiabatic electron wavepacket study on symmetry breaking dynamics of the low-lying excited states of cyclic-B4
inferred← citeshttps://doi.org/10.1016/j.chemphys.2016.03.022openalex-snapshot
Effects of collision energy on the stereodynamics of the reaction O + H2+→ OH + H+
inferred← citeshttps://doi.org/10.1016/j.chemphys.2017.01.005openalex-snapshot
The influence of molecular pre-orientation on the resonance-enhanced multi-photon ionization dynamics
inferred← citeshttps://doi.org/10.1016/j.chemphys.2018.03.017openalex-snapshot
Generations of even-order harmonics from vibrating H2+ and T2+ in the rising and falling parts of the laser field
inferred← citeshttps://doi.org/10.1016/j.chemphys.2019.110497openalex-snapshot
Selective enhancement of single-order and two-order harmonics from He atom via two-color and three-color laser fields
inferred← citeshttps://doi.org/10.1016/j.chemphys.2022.111677openalex-snapshot
Effect of the reactant vibration on quantum dynamics of the reaction H + CH(v = 0,1,2, j = 0) → H2 + C based on a new CH2(X3A″) potential energy surface
inferred← citeshttps://doi.org/10.1016/j.chemphys.2025.112895openalex-snapshot
Quantum stereodynamical control on the Mg+(2S) + HD (v = 1, j = 1) → MgH+/ MgD+ + D/H reaction
inferred← citeshttps://doi.org/10.1016/j.chemphys.2025.112995openalex-snapshot
Nonadiabatic dynamics study of the Sr+(4d2D) + H2(v = 0, 1; j = 0) reaction
inferred← citeshttps://doi.org/10.1016/j.chemphys.2026.113394openalex-snapshot
Quantum dynamics studies for the abstraction and exchange channels of the H + CaH(v = 0, j = 0) reaction
inferred← citeshttps://doi.org/10.1016/j.comptc.2010.10.040openalex-snapshot
Stereodynamics study of the C(3P)+OH(X2Π)→CO(X1Σ+)+H(2S) reaction using a quasiclassical trajectory method
inferred← citeshttps://doi.org/10.1016/j.comptc.2010.11.016openalex-snapshot
Variational transition-state theory study of the D−+H2→HD+H− reaction and the H−+D2→HD+D− reaction
inferred← citeshttps://doi.org/10.1016/j.comptc.2010.12.034openalex-snapshot
DFT/TDDFT study on the excited-state hydrogen bonding dynamics of hydrogen-bonded complex formed by methyl cyanide and methanol
inferred← citeshttps://doi.org/10.1016/j.comptc.2011.05.017openalex-snapshot
A DFT/TDDFT study of hydrogen bonding interactions between resorufin anion and water molecules in the excited state
inferred← citeshttps://doi.org/10.1016/j.comptc.2011.06.013openalex-snapshot
Time-dependent density functional theory study on the hydrogen bonding in electronic excited states of 6-amino-3-((thiophen-2-yl) methylene)-phthalide in methanol solution
inferred← citeshttps://doi.org/10.1016/j.comptc.2011.09.006openalex-snapshot
The Coriolis effect in the N+ND→N2+D reaction
inferred← citeshttps://doi.org/10.1016/j.comptc.2012.02.002openalex-snapshot
Quantum wave packet calculation of the O(3P)+H2 reaction on the new potential energy surfaces for the two lowest states
inferred← citeshttps://doi.org/10.1016/j.comptc.2012.07.041openalex-snapshot
Quantum wave packet dynamics study of the S(3P)+H2 reaction on the lowest SH2(13A′′) state
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.02.006openalex-snapshot
Quantum dynamics study on the exchange H+OH+ reaction
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.08.018openalex-snapshot
Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.12.010openalex-snapshot
Excited-state properties of a blue luminescent covalent organic framework by the time-dependent density-functional tight-binding method
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.12.029openalex-snapshot
Photochemical dynamics simulations for trans–cis photoisomerizations of azobenzene and bridged azobenzene
inferred← citeshttps://doi.org/10.1016/j.comptc.2014.01.017openalex-snapshot
Coriolis coupling effects in exact quantum scattering study of the isotopic reaction dynamics of
inferred← citeshttps://doi.org/10.1016/j.comptc.2014.04.018openalex-snapshot
Effect of reagent vibrational excitation on reaction S(3P)+D2 in 3A″ and 3A′ states
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.03.033openalex-snapshot
Theoretical investigation on activation of CH and CC bonds of 2-butyne by gas-phase Nb atom
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.10.003openalex-snapshot
Theoretical investigation on activation of ethene by the HNbN− anion in the gas phase
inferred← citeshttps://doi.org/10.1016/j.comptc.2018.02.015openalex-snapshot
A theoretical mechanistic study for C H and C C bond activations of cyclohexane catalyzed by NiAl + in the gas phase
inferred← citeshttps://doi.org/10.1016/j.comptc.2021.113540openalex-snapshot
Dynamic study of the D + DAu reaction based on a new ground potential energy surface
inferred← citeshttps://doi.org/10.1016/j.comptc.2025.115488openalex-snapshot
Theoretical insight into the S+(2D) + H2 ( X 1 Σ g + ) (v = 0, 1, 2; j = 0) → SH++H reaction with time-dependent quantum wave packet method
inferred← citeshttps://doi.org/10.1016/j.cplett.2006.11.030openalex-snapshot
Theoretical study of the femtosecond-resolved photoelectron spectrum of the I2− anion
inferred← citeshttps://doi.org/10.1016/j.cplett.2007.02.023openalex-snapshot
Quantum scattering calculation for Br + H2 reaction on a new ab initio potential energy surface
inferred← citeshttps://doi.org/10.1016/j.cplett.2007.05.061openalex-snapshot
Time-resolved photoelectron spectra of Br2 molecule in intense laser field
inferred← citeshttps://doi.org/10.1016/j.cplett.2008.08.011openalex-snapshot
An ab initio potential energy surface of the He+H2+→HeH++H reaction
inferred← citeshttps://doi.org/10.1016/j.cplett.2009.02.007openalex-snapshot
Quasi-classical trajectory study of the reaction H + FO → OH + F
inferred← citeshttps://doi.org/10.1016/j.cplett.2009.02.049openalex-snapshot
Nonadiabatic effects in D++ H2 and H++ D2
inferred← citeshttps://doi.org/10.1016/j.cplett.2010.02.067openalex-snapshot
Effect of reagent rotation on the integral cross-sections and isotopic branching of the reactions H−+ HD and D−+ HD
inferred← citeshttps://doi.org/10.1016/j.cplett.2010.03.065openalex-snapshot
Theoretical prediction of stable structures of lithiosilicon species based on planar double, triple, and quadruple silicon rings
inferred← citeshttps://doi.org/10.1016/j.cplett.2010.05.049openalex-snapshot
Quasi-classical trajectory and quantum mechanics study of the reaction H(2S) + NH → N(4S) + H2
inferred← citeshttps://doi.org/10.1016/j.cplett.2010.08.005openalex-snapshot
Adiabatic quantum dynamics calculations of the rate constant for the N + NH → N2+ H reaction
inferred← citeshttps://doi.org/10.1016/j.cplett.2010.11.016openalex-snapshot
Theoretical investigation of the effect of rotational excitation on the stereodynamics of the O(3P)+H2→OH+H reaction
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.03.052openalex-snapshot
Coriolis coupling effects in the H+Li2(X1Σg+)→LiH(X1Σ+)+Li reaction: A time-dependent wave packet investigation
inferred← citeshttps://doi.org/10.1016/j.cplett.2017.03.026openalex-snapshot
A time-dependent quantum dynamical study of the O(3P) + D2+→ OD++ D reaction
inferred← citeshttps://doi.org/10.1016/j.cplett.2017.07.076openalex-snapshot
Study of the dynamics and isotopic effects in the D + MgD reaction using the quasi-classical trajectory method
inferred← citeshttps://doi.org/10.1016/j.cplett.2017.09.056openalex-snapshot
A time-dependent quantum dynamical study of the C+(2P) + H2(D2,HD) → CH+(CD+) + H(D) reaction
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.04.013openalex-snapshot
Generation of wavelength tunable single-order harmonic via chirp gating modulation
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.136815openalex-snapshot
Uncovering the excited state trends and ESIPT mechanism for 2-(hydroxy-3-dimethyl-phenyl)-benzooxazole-6-carboxylicacid
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.136843openalex-snapshot
The inhomogeneous field effect on quantum path control of H2+ driven by PG scheme
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.136885openalex-snapshot
Generation of electron vortices in photoionization by counter-rotating circularly polarized attosecond pulses
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.137043openalex-snapshot
Effects of rovibrational excitation of LiH on the LiH depletion and H exchange channels for the reaction H ( 2 S) + LiH (X 1Σ+ ) on a new potential energy surface
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.137044openalex-snapshot
The influence of the isotope substitution on the O + LiH+/LiD+ reactions
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137207openalex-snapshot
Theoretical investigation of the electron dynamics in high-order harmonic generation process from the doped periodic potential
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137295openalex-snapshot
A time-dependent quantum dynamical study of H + AuH reaction
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137398openalex-snapshot
Exploring reaction mechanism and vibrational excitation effect in H + CH( v,j = 0) reaction
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.138136openalex-snapshot
Control of the high-order harmonic generation by sculpting waveforms with chirp in solids
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.138257openalex-snapshot
Theoretical insight into the vibrational excitation effect of the S+(4S) + H2(X1∑+g) reaction
inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138901openalex-snapshot
Dynamic study of the H + AuH reaction based on a new ground potential energy surface
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.139388openalex-snapshot
Effect of femtosecond pulse profile on excitation and dissociation of the nonadiabatic coupling molecule
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.140095openalex-snapshot
Accurate time-dependent wave packet calculation for the reaction of Al(2P) + H2 X1∑g+ on the AlH2(12A′) surface
inferred← citeshttps://doi.org/10.1016/j.cplett.2026.142772openalex-snapshot
State-to-state quantum dynamics study on the Cl + H2 (v = 0–1, j = 2) reaction: stereodynamical control and vibrational excitation
inferred← citeshttps://doi.org/10.1016/j.elspec.2011.11.004openalex-snapshot
High-order harmonic generation spectra and isolated attosecond pulse generation with a two-color time delayed pulse
inferred← citeshttps://doi.org/10.1016/j.elspec.2012.09.002openalex-snapshot
Single quantum path control by a fundamental chirped pulse combined with a subharmonic control pulse
inferred← citeshttps://doi.org/10.1016/j.elspec.2013.12.003openalex-snapshot
Photodetachment of H− ion near two repulsive centers
inferred← citeshttps://doi.org/10.1016/j.elspec.2016.12.003openalex-snapshot
Influence of the oscillating electric field on the photodetachment of H − ion in a static electric field
inferred← citeshttps://doi.org/10.1016/j.fuel.2011.12.060openalex-snapshot
Theoretical study of two states reactivity of methane activation on iron atom and iron dimer
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2014.02.046openalex-snapshot
Thymine dimer splitting in the T<>T-G trinucleotide model system: A semiclassical dynamics and TD-DFT study
inferred← citeshttps://doi.org/10.1016/j.ijleo.2016.03.007openalex-snapshot
Field dependence of state populations in pump-probe pulses
inferred← citeshttps://doi.org/10.1016/j.ijleo.2016.10.022openalex-snapshot
Effect of laser pulse width on wave packet motion in femotosecond pump-probe pulses
inferred← citeshttps://doi.org/10.1016/j.jcis.2013.12.050openalex-snapshot
Steady-state and time-resolved spectroscopic investigations on the existence of stable methanol/AOT/n-heptane reverse micelles
inferred← citeshttps://doi.org/10.1016/j.jlumin.2010.03.007openalex-snapshot
Time-dependent density functional theory study on excited state intramolecular proton transfer of 3-hydroxy-2-(pyridin-2-yl)-4H-chromen-4-one
inferred← citeshttps://doi.org/10.1016/j.jlumin.2011.05.010openalex-snapshot
Excited-state hydrogen bonding effect on dynamic fluorescence of coumarin 102 chromophore in solution: A time-resolved fluorescence and theoretical study
inferred← citeshttps://doi.org/10.1016/j.jlumin.2011.06.006openalex-snapshot
Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solute–solvent phenol–(H2O)n (n=3–5) clusters
inferred← citeshttps://doi.org/10.1016/j.jlumin.2013.02.005openalex-snapshot
Hydrogen bonding and coordination bonding in the electronically excited states of the MOF Cu2 (L)2 (L=5-(4-pyridyl)tetrazole) CH2Cl2: A time-dependent density functional theory study
inferred← citeshttps://doi.org/10.1016/j.jlumin.2017.11.015openalex-snapshot
Time-dependent density functional theory (TDDFT) study on the electronic spectroscopic blue-shift phenomenon and photoinduced charge transfer of firefly luciferin anion in aqueous solution: Insight into the excited-state hydrogen bond weakening mechanism
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2008.10.016openalex-snapshot
Revisiting the electronic excited-state hydrogen bonding dynamics of coumarin chromophore in alcohols: Undoubtedly strengthened not cleaved
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2009.12.001openalex-snapshot
Time-dependent density functional theory study of the excited-state dihydrogen bond O–H⋯H–Si
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2010.10.012openalex-snapshot
Role of the intermolecular and intramolecular hydrogen bonding on the excited-state proton transfer behavior of 3-aminophthalimide (3AP) dimer
inferred← citeshttps://doi.org/10.1016/j.molstruc.2010.07.040openalex-snapshot
Quasi-classical trajectory calculation of the isotopic effect on integral cross sections and alignments of O(3P)+HD→OH+D and OD+H at Erel=0.2–1.0eV
inferred← citeshttps://doi.org/10.1016/j.optcom.2015.03.026openalex-snapshot
Unipolar pulse assisted generation of the coherent XUV pulses
inferred← citeshttps://doi.org/10.1016/j.optcom.2019.124626openalex-snapshot
Identifying multichannel transition paths between conduction bands in harmonic generation from solids
inferred← citeshttps://doi.org/10.1016/j.physb.2014.02.044openalex-snapshot
Escape of quantum particles from an open nano-circular microcavity
inferred← citeshttps://doi.org/10.1016/j.physleta.2012.03.031openalex-snapshot
Intensity improvement in the attosecond pulse generation with the coherent superposition initial state
inferred← citeshttps://doi.org/10.1016/j.physleta.2013.10.042openalex-snapshot
Control of electron localization to isolate and enhance molecular harmonic plateau in asymmetric HeH2+ system
inferred← citeshttps://doi.org/10.1016/j.physleta.2014.05.035openalex-snapshot
Attosecond-resolution two-electron harmonic emission
inferred← citeshttps://doi.org/10.1016/j.physleta.2014.11.062openalex-snapshot
Rescattering of recolliding electron and low energy structure in few-cycle mid-infrared strong laser field: A 3D-TDSE study
inferred← citeshttps://doi.org/10.1016/j.physleta.2016.06.025openalex-snapshot
The electron–ion dynamics in ionization of lithium carbide molecule under femtosecond laser pulses
inferred← citeshttps://doi.org/10.1016/j.physleta.2017.01.011openalex-snapshot
R -dependent molecular harmonic generation from H2+
inferred← citeshttps://doi.org/10.1016/j.saa.2013.02.010openalex-snapshot
Hydrogen bonding and coordination bonding in the electronically excited states of Cu2(L)2 (L=5-(4-pyridyl)tetrazole)MeOH: A TDDFT study
inferred← citeshttps://doi.org/10.1016/j.saa.2014.03.098openalex-snapshot
Theoretical exploration of control factors for the high-order harmonic generation (HHG) spectrum in two-color field
inferred← citeshttps://doi.org/10.1016/j.saa.2017.06.005openalex-snapshot
On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations
inferred← citeshttps://doi.org/10.1016/j.saa.2018.12.010openalex-snapshot
Does the wavelength dependent photoisomerization process of the p‑coumaric acid come out from the electronic state dependent pathways?
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.05.015openalex-snapshot
Vector correlation in the He + H2+→ HeH++ H reaction: A quasi-classical trajectory study on two potential energy surfaces
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.07.033openalex-snapshot
The stereodynamics of the O (D-1) plus HCl reaction and its isotopic variants (DCl)
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.09.003openalex-snapshot
Application of the sixth-order symplectic integration to the chemical stereodynamics for the reactions Li + H(D)F (v= 0, j= 0) → LiF + H(D)
inferred← citeshttps://doi.org/10.1016/j.theochem.2010.01.019openalex-snapshot
Quasi-classical trajectory study of the CD/CH product branching ratios for the C(1D) + HD reaction
inferred← citeshttps://doi.org/10.1016/j.theochem.2010.02.004openalex-snapshot
Sensitivity of high-order harmonic generation to nuclear motion
inferred← citeshttps://doi.org/10.1016/j.theochem.2010.02.015openalex-snapshot
Quasi-classical trajectory study of the reaction O(3P) + HCl → OH + Cl and O(3P) + DCl → OD + Cl: Vector and scalar properties
inferred← citeshttps://doi.org/10.1016/j.theochem.2010.04.037openalex-snapshot
Effects of reagent vibration on stereodynamical information of the reaction S(1D) + H2(v= 0–3, j= 0) → SH + H
inferred← citeshttps://doi.org/10.1016/j.theochem.2010.08.020openalex-snapshot
Chemical stereodynamics of the O(3P)+H2(ν=0,j=0)→OH+H reaction on the two lowest triplet electronic states
inferred← citeshttps://doi.org/10.1016/s1872-2067(09)60082-6openalex-snapshot
A Theoretical Investigation of the Structural Properties of Chemically Modified Mo-S-I Nanowires
inferred← citeshttps://doi.org/10.1016/s1872-2067(14)60037-1openalex-snapshot
Theoretical investigation into the Co+ catalytic activity in the cycle reaction of N2O with C2H6 in the gas phase
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c01080openalex-snapshot
Nonadiabatic Dynamics Algorithms with Only Potential Energies and Gradients: Curvature-Driven Coherent Switching with Decay of Mixing and Curvature-Driven Trajectory Surface Hopping
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00130openalex-snapshot
Multilayer Subsystem Surface Hopping Method for Large-Scale Nonadiabatic Dynamics Simulation with Hundreds of Thousands of States
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00988openalex-snapshot
Decoherence and Its Role in Electronically Nonadiabatic Dynamics
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c08105openalex-snapshot
Quantum Wave Packet Treatment of Cold Nonadiabatic Reactive Scattering at the State-To-State Level
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c03155openalex-snapshot
Memorial Viewpoint for Keli Han
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c06439openalex-snapshot
State-to-State Time-Dependent Quantum Dynamics Studies of the Si(3P) + OH(X 2Π) → OSi(X 1Σg+) + H(2S) Reaction Based on a New HOSi(X2A′) Potential Energy Surface
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c07991openalex-snapshot
Electronically Nonadiabatic Quenching of Excited States of O2 by Collisions with O Atoms
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b04255openalex-snapshot
State-to-State Quantum Dynamics of Reactions O(3P) + HD (v = 0–1, j = 0) → OH+D and OD+H: Reaction Mechanism and Vibrational Excitation
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b07718openalex-snapshot
Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D++H2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b05719openalex-snapshot
New Insight into the Photoisomerization Process of the Salicylidene Methylamine under Vacuum
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b10968openalex-snapshot
Effect of Methylation on the Photodynamical Behavior of Arylazoimidazoles: New Insight from Theoretical ab Initio Potential Energy Calculations and Molecular Dynamics Simulations
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