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A Qualitative Index of Spatial Extent in Charge-Transfer Excitations
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/poc.1744openalex-snapshot
Solvatochromism as an efficient tool to study N,N‐dimethylamino‐ and cyano‐substituted π‐conjugated molecules with an intramolecular charge‐transfer absorption
inferredcites →https://doi.org/10.1007/s002140050235openalex-snapshot
A minimal distortion localization of occupied orbitals in supermolecule calculations of intermolecular interactions
inferredcites →https://doi.org/10.1007/s002140100250openalex-snapshot
Electronic excitation of sulfur-organic compounds - performance of time-dependent density functional theory
inferredcites →https://doi.org/10.1016/0009-2614(95)00895-bopenalex-snapshot
Intramolecular charge transfer in elongated donor-acceptor conjugated polyenes
inferredcites →https://doi.org/10.1016/0010-8545(88)80032-8openalex-snapshot
Ru(II) polypyridine complexes: photophysics, photochemistry, eletrochemistry, and chemiluminescence
inferredcites →https://doi.org/10.1016/0040-4020(60)85014-4openalex-snapshot
The effect of terminal nitro and amino groups on the electronic spectra of conjugated hydrocarbon systems
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Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
inferredcites →https://doi.org/10.1016/j.cplett.2005.11.112openalex-snapshot
Failure of time-dependent density functional methods for excitations in spatially separated systems
inferredcites →https://doi.org/10.1016/j.cplett.2006.05.077openalex-snapshot
Comment on: ‘Failure of time-dependent density functional methods for excitations in spatially separated systems’ by Wolfgang Hieringer and Andreas Görling
inferredcites →https://doi.org/10.1016/j.theochem.2009.03.009openalex-snapshot
Illustration of a TDDFT spatial overlap diagnostic by basis function exponent scaling
inferredcites →https://doi.org/10.1016/j.theochem.2009.04.021openalex-snapshot
Is charge transfer transitions really too difficult for standard density functionals or are they just a problem for time-dependent density functional theory based on a linear response approach
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Accurate Simulation of Optical Properties in Dyes
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Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
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Electrostatic Modulation by Ionic Aggregates: Charge Transfer Transitions in Solutions of Lithium Perchlorate−Diethyl Ether
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inferredcites →https://doi.org/10.1021/jp104439qopenalex-snapshot
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inferredcites →https://doi.org/10.1039/b822941dopenalex-snapshot
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inferredcites →https://doi.org/10.1063/1.1590951openalex-snapshot
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange
inferredcites →https://doi.org/10.1063/1.1633756openalex-snapshot
Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn–Sham theory
inferredcites →https://doi.org/10.1063/1.1688752openalex-snapshot
A long-range-corrected time-dependent density functional theory
inferredcites →https://doi.org/10.1063/1.2831900openalex-snapshot
Excitation energies in density functional theory: An evaluation and a diagnostic test
inferredcites →https://doi.org/10.1063/1.2954017openalex-snapshot
Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory
inferredcites →https://doi.org/10.1063/1.3009622openalex-snapshot
A revised electronic Hessian for approximate time-dependent density functional theory
inferredcites →https://doi.org/10.1063/1.3471449openalex-snapshot
On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory
inferredcites →https://doi.org/10.1063/1.438955openalex-snapshot
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
inferredcites →https://doi.org/10.1063/1.478522openalex-snapshot
Toward reliable density functional methods without adjustable parameters: The PBE0 model
inferredcites →https://doi.org/10.1080/00268979909482888openalex-snapshot
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/revmodphys.80.3openalex-snapshot
Orbital-dependent density functionals: Theory and applications
inferredcites →https://doi.org/10.1126/science.1158722openalex-snapshot
Insights into Current Limitations of Density Functional Theory
inferredcites →https://doi.org/10.1524/zpch.2010.6108openalex-snapshot
Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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inferred← citeshttps://doi.org/10.1002/cphc.201701143openalex-snapshot
Linear and Nonlinear Optical Properties of Tricyanopropylidene‐Based Merocyanine Dyes: Synergistic Experimental and Theoretical Investigations
inferred← citeshttps://doi.org/10.1002/cphc.202100239openalex-snapshot
Aggregation‐Induced Emission: A Challenge for Computational Chemistry Taking TPA‐BMO as an Example**
inferred← citeshttps://doi.org/10.1002/cphc.202100269openalex-snapshot
Heavy‐Atom‐Free Bay‐Substituted Perylene Diimide Donor‐Acceptor Photosensitizers
inferred← citeshttps://doi.org/10.1002/cphc.202300710openalex-snapshot
A Curious Case of Two‐Photon Absorption in n‐Helicene and n‐Phenylene, n=6–10: Why n=7 is Different?
inferred← citeshttps://doi.org/10.1002/cphc.202401155openalex-snapshot
Thermal Isomerization Rates of New Azoquinoline‐Functionalized Copolymers as a Function of Substitution Patterns
inferred← citeshttps://doi.org/10.1002/cplu.201900213openalex-snapshot
Carbazole‐Terpyridine Donor‐Acceptor Dyads with Rigid π‐Conjugated Bridges
inferred← citeshttps://doi.org/10.1002/cptc.201900117openalex-snapshot
In Silico Investigation of the Aggregation‐Caused Quenching: the “Tolane‐Based Molecule” Case
inferred← citeshttps://doi.org/10.1002/cptc.201900121openalex-snapshot
The Intriguing Case of the One‐Photon and Two‐Photon Absorption of a Prototypical Symmetric Squaraine: Comparison of TDDFT and Wave‐Function Methods
inferred← citeshttps://doi.org/10.1002/cptc.202000080openalex-snapshot
Tuning the Emission Color of Indolo[3,2‐b]carbazole‐Based Boron Complexes and their Application in Organic Field Effect Transistors and Bioimaging
inferred← citeshttps://doi.org/10.1002/cptc.202100069openalex-snapshot
Coumarin‐Pyronin Hybrid Dyes: Synthesis, Fluorescence Properties and Theoretical Calculations**
inferred← citeshttps://doi.org/10.1002/cptc.202200137openalex-snapshot
In Silico Screening of Two‐Photon Absorption Properties of a Large Set of Bis‐Difluoroborate Dyes
inferred← citeshttps://doi.org/10.1002/cptc.202400063openalex-snapshot
Quantum Chemical Study of a Dihydroazulene‐Spiropyran Multi‐State Multi‐Functional Molecular Switch
inferred← citeshttps://doi.org/10.1002/cptc.202400079openalex-snapshot
Red‐Shifting ESIPT Fluorescence by Site‐Specific Functionalization in 2‐(2’‐hydroxyphenyl)benzazole Derivatives
inferred← citeshttps://doi.org/10.1002/cssc.201100764openalex-snapshot
Diketopyrrolopyrrole–Porphyrin Conjugates as Broadly Absorbing Sensitizers for Dye‐Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1002/cssc.201903182openalex-snapshot
A Comparative Investigation of the Role of the Anchoring Group on Perylene Monoimide Dyes in NiO‐Based Dye‐Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1002/cssc.202200520openalex-snapshot
Push‐Pull Phenoxazine‐Based Sensitizers for p‐Type DSSCs: Effect of Acceptor Units on Photovoltaic Performance
inferred← citeshttps://doi.org/10.1002/ejoc.201301218openalex-snapshot
The Remarkable Hyperchromicity of Ketohydrazone Dyes and Pigment Lakes Derived from 4‐Morpholino‐2‐naphthol
inferred← citeshttps://doi.org/10.1002/ejoc.201402806openalex-snapshot
Solution‐ and Solid‐State Luminescent Borate Complexes Based on a Substituted π‐Conjugated 2‐(6′‐Hydroxy‐5′‐benzofuryl) Scaffold
inferred← citeshttps://doi.org/10.1002/ejoc.201600641openalex-snapshot
Synthesis, Separation and Absolute Configuration Determination by ECD Spectroscopy and TDDFT Calculations of 3‐Amino‐β‐lactams and Derived Guanidines
inferred← citeshttps://doi.org/10.1002/ejoc.202500453openalex-snapshot
Molecular Engineering of 9‐Fluorenone‐Benzothiadiazole‐Based Donors: Synergistic Optimization of Photovoltaic Properties in Organic Solar Cells
inferred← citeshttps://doi.org/10.1002/ente.202402217openalex-snapshot
Rational Design and Theoretical Investigation of Quinoxaline‐Based Small‐Molecule Functional Materials for High‐Performance Organic Solar Cells
inferred← citeshttps://doi.org/10.1002/er.8211openalex-snapshot
Fluorinated copper phthalocyanine as an electron transport material in perovskite solar cell
inferred← citeshttps://doi.org/10.1002/ijch.201600114openalex-snapshot
Fluorescent Markers for Amyloid‐β Detection: Computational Insights
inferred← citeshttps://doi.org/10.1002/jcc.23298openalex-snapshot
Theoretical characterization and design of small molecule donor material containing naphthodithiophene central unit for efficient organic solar cells
inferred← citeshttps://doi.org/10.1002/jcc.23423openalex-snapshot
Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculations
inferred← citeshttps://doi.org/10.1002/jcc.24780openalex-snapshot
Comparing the performance of TD‐DFT and SAC‐CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study
inferred← citeshttps://doi.org/10.1002/jcc.24822openalex-snapshot
A quantitative analysis of light‐driven charge transfer processes using voronoi partitioning of time dependent DFT‐derived electron densities
inferred← citeshttps://doi.org/10.1002/jcc.24862openalex-snapshot
Charge transfer excitations in TDDFT: A ghost‐hunter index
inferred← citeshttps://doi.org/10.1002/jcc.25144openalex-snapshot
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?
inferred← citeshttps://doi.org/10.1002/jcc.25371openalex-snapshot
A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n = 1–3)
inferred← citeshttps://doi.org/10.1002/jcc.25750openalex-snapshot
Using density based indexes to characterize excited states evolution
inferred← citeshttps://doi.org/10.1002/jcc.26162openalex-snapshot
Following the evolution of excited states along photochemical reaction pathways
inferred← citeshttps://doi.org/10.1002/jcc.26224openalex-snapshot
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions
inferred← citeshttps://doi.org/10.1002/jcc.26442openalex-snapshot
Assessment of local coupled cluster methods for excited states of BODIPY / Aza‐BODIPY families
inferred← citeshttps://doi.org/10.1002/jcc.26932openalex-snapshot
Following the density evolution using real time density functional theory and density based indexes: Application to model push–pull molecules
inferred← citeshttps://doi.org/10.1002/jcc.26955openalex-snapshot
Modeling the spectral properties of poly(x‐phenylenediamine) conducting polymers using a combined TD‐DFT and electrostatic embedding approach
inferred← citeshttps://doi.org/10.1002/jcc.27199openalex-snapshot
Quantum mechanical assessment on the optical properties of capsanthin conformers
inferred← citeshttps://doi.org/10.1002/jcc.27288openalex-snapshot
Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite
inferred← citeshttps://doi.org/10.1002/jcc.70275openalex-snapshot
Emission Using Adaptable Range Separated Hybrids: Thermally Activated Delayed Fluorescence Emitters as Test Case
inferred← citeshttps://doi.org/10.1002/jccs.202300078openalex-snapshot
Twisted intramolecular charge‐transfer state of trans‐3‐(N,N ‐Dimethylamino )‐4'‐cyanostilbene: The C−C bond twisting
inferred← citeshttps://doi.org/10.1002/lpor.71759openalex-snapshot
Emergent Self‐Trapped Excitonic Behavior Arising From the Interplay of Size, Solvent, and Dopants in Black Phosphorus Quantum Dots
inferred← citeshttps://doi.org/10.1002/marc.202000426openalex-snapshot
Mechanochromic LLDPE Films Doped with NIR Reflective Paliogen Black
inferred← citeshttps://doi.org/10.1002/open.202400525openalex-snapshot
Effect of Electron Donor Groups on Optoelectronic Properties of Betalain Dyes: A DFT Study
inferred← citeshttps://doi.org/10.1002/poc.3695openalex-snapshot
Nondoped blue fluorescent OLED based on cyanophenanthrimidazole-styryl-triphenylamine/carbazole materials
inferred← citeshttps://doi.org/10.1002/poc.3729openalex-snapshot
Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline‐pyrazole isomer QP‐I: A theoretical study
inferred← citeshttps://doi.org/10.1002/qua.24547openalex-snapshot
Design of high-performance chlorine type dyes for dye-sensitized solar cells
inferred← citeshttps://doi.org/10.1002/qua.24746openalex-snapshot
Theoretical insights into the absorption and emission properties of blue luminescent copper(I) complexes based on the pyrazolyl‐pyridine ligands
inferred← citeshttps://doi.org/10.1002/qua.25618openalex-snapshot
Accurate description of excited state intramolecular proton transfer that involves zwitterionic state using optimally tuned range‐separated time‐dependent density functional theory
inferred← citeshttps://doi.org/10.1002/qua.25684openalex-snapshot
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling
inferred← citeshttps://doi.org/10.1002/qua.25780openalex-snapshot
Why the lowest electronic excitations of rhodamines are overestimated by time‐dependent density functional theory
inferred← citeshttps://doi.org/10.1002/qua.25982openalex-snapshot
Effect of electron‐withdrawing groups on photovoltaic performance of thiophene‐vinyl‐thiophene derivative and benzochalcogenadiazole based copolymers: A computational study
inferred← citeshttps://doi.org/10.1002/qua.26104openalex-snapshot
Theoretical study of the desorption of neutral and ionic alkali metal atoms from the excited Li+(H2O)n = 1‐4 and Na+(H2O)n = 1‐4 cluster models: Electronic excitation charge transfer
inferred← citeshttps://doi.org/10.1002/qua.26110openalex-snapshot
A comprehensive, self‐contained derivation of the one‐body density matrices from single‐reference excited‐state calculation methods using the equation‐of‐motion formalism
inferred← citeshttps://doi.org/10.1002/qua.26431openalex-snapshot
Improved photovoltaic performance of phosphonic acid‐based sensitized solar cells via an electron‐withdrawing moiety: A density of functional theory study
inferred← citeshttps://doi.org/10.1002/qua.26483openalex-snapshot
Insight into incident photon to current conversion efficiency in chlorophylls
inferred← citeshttps://doi.org/10.1002/qua.26522openalex-snapshot
Theoretical investigation of aromaticity and charge transfer in emission process of triarylmethyl radicals as OLED materials
inferred← citeshttps://doi.org/10.1002/qua.26620openalex-snapshot
Molecular engineering of triphenylamine‐based metal‐free organic dyes for dye‐sensitized solar cells
inferred← citeshttps://doi.org/10.1002/qua.27076openalex-snapshot
A conceptual density functional theory approach to substituent effects in fluorescence processes: The case of naphthalimide derivatives
inferred← citeshttps://doi.org/10.1002/qua.27086openalex-snapshot
Substantial second‐order nonlinear optical properties of novel hexamolybdate‐julolidine hybrids: A density functional theory (DFT) study
inferred← citeshttps://doi.org/10.1002/qua.27454openalex-snapshot
Differences in carbonyl groups and boron acceptors in MR ‐ TADF and full‐color emission merging strategies: A theoretical study
inferred← citeshttps://doi.org/10.1002/qua.70087openalex-snapshot
The Effect of Conjugation Length and NN Location on the Nonlinear Optical Switching Properties of Azobenzene Derivatives
inferred← citeshttps://doi.org/10.1002/slct.201601842openalex-snapshot
Hybridised‐Local and Charge‐Transfer Excited States in Donor‐Spacer‐Acceptor Molecules for Efficient OLEDs: Combined Experimental and Theoretical Study
inferred← citeshttps://doi.org/10.1002/slct.201701305openalex-snapshot
Effects of Anthryl Groups on the Charge Transport and Photovoltaic Properties of Small Triarylamine‐Based Donor‐Acceptor Molecules: A Joint Experimental and Theoretical Study
inferred← citeshttps://doi.org/10.1002/slct.202203262openalex-snapshot
Charge Transfer as Bridging Correlator for DSSC Efficiency and NLO Property
inferred← citeshttps://doi.org/10.1002/slct.202300097openalex-snapshot
A DFT Study on the Conformation, Properties of the Excited States, and Excimer's Formation of Tetraphenylcyclotetrasiloxane
inferred← citeshttps://doi.org/10.1002/slct.202402291openalex-snapshot
Molecular Designing and Simulation‐Driven Exploration of Benzotrithiophene‐Based Semiconductors for Organic Photovoltaics
inferred← citeshttps://doi.org/10.1002/slct.74759openalex-snapshot
Quantum‐Engineered Magnesium Phthalocyanine for Multifunctional Optoelectronics: Charge Transfer Dynamics, Topological Features, and Device‐Level Integration
inferred← citeshttps://doi.org/10.1002/smll.202408011openalex-snapshot
Natural Pitch‐Derived Carbon Networks Induced Lattice Strain Engineering in Nickel‐Based Heterostructures Enables Efficient Anodes for Sodium‐Ion Batteries
inferred← citeshttps://doi.org/10.1002/smll.202502915openalex-snapshot
Engineering Nitrogen/Carbonyl MR‐TADF Emitters: Spiro‐Lock and Tert‐Butyl Synergy in Narrowband Blue Emission
inferred← citeshttps://doi.org/10.1002/smll.202514074openalex-snapshot
Quaternary D‐π‐A Covalent Organic Frameworks for High‐Performance H 2 O 2 Photosynthesis
inferred← citeshttps://doi.org/10.1002/smtd.202201472openalex-snapshot
Phase Evolution on the Hydrogen Adsorption Kinetics of NiFe‐Based Heterogeneous Catalysts for Efficient Water Electrolysis
inferred← citeshttps://doi.org/10.1002/solr.202300106openalex-snapshot
Enhanced Photovoltaic Property and Panchromatic Photocatalytic by Forming D‐π‐A‐Bacteriochlorin Dyads: A Computational Investigation
inferred← citeshttps://doi.org/10.1002/tcr.202000038openalex-snapshot
One‐ and Two‐Photon Absorption: Physical Principle and Applications
inferred← citeshttps://doi.org/10.1007/128_2015_638openalex-snapshot
Computational Molecular Electronic Spectroscopy with TD-DFT
inferred← citeshttps://doi.org/10.1007/978-3-030-11714-6_9openalex-snapshot
Photodeactivation Channels of Transition Metal Complexes: A Computational Chemistry Perspective
inferred← citeshttps://doi.org/10.1007/978-3-030-69445-6_8openalex-snapshot
Computational Screening of Organic Dye-Sensitizers for Dye-Sensitized Solar Cells: DFT/TDDFT Approach
inferred← citeshttps://doi.org/10.1007/978-3-319-27282-5_43openalex-snapshot
Time-Dependent Density Functional Theory: A Tool to Explore Excited States
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_43-1openalex-snapshot
Time-Dependent Density Functional Theory: A Tool to Explore Excited States
inferred← citeshttps://doi.org/10.1007/s00214-014-1456-yopenalex-snapshot
Optical signatures of borico dyes: a TD-DFT analysis
inferred← citeshttps://doi.org/10.1007/s00214-014-1458-9openalex-snapshot
A computational study of the nonlinear optical properties of carbazole derivatives: theory refines experiment
inferred← citeshttps://doi.org/10.1007/s00214-014-1523-4openalex-snapshot
Theoretical study of linker-type effect in carbazole–carbazole-based dyes on performances of dye-sensitized solar cells
inferred← citeshttps://doi.org/10.1007/s00214-015-1724-5openalex-snapshot
Photoactivatable platinum(II) compounds: in search of novel anticancer drugs
inferred← citeshttps://doi.org/10.1007/s00214-015-1778-4openalex-snapshot
Describing excited states of [n]cycloparaphenylenes by hybrid and double-hybrid density functionals: from isolated to weakly interacting molecules
inferred← citeshttps://doi.org/10.1007/s00214-016-1815-yopenalex-snapshot
Intramolecular photo-induced charge transfer in visual retinal chromophore mimics: electron density-based indices at the TD-DFT and post-HF levels
inferred← citeshttps://doi.org/10.1007/s00214-016-1866-0openalex-snapshot
Fluorene-imidazole dyes excited states from first-principles calculations—Topological insights
inferred← citeshttps://doi.org/10.1007/s00214-016-1873-1openalex-snapshot
Unraveling charge transfer processes with the quantum theory of atoms-in-molecules
inferred← citeshttps://doi.org/10.1007/s00214-016-1879-8openalex-snapshot
On the different strength of photoacids
inferred← citeshttps://doi.org/10.1007/s00214-016-1930-9openalex-snapshot
Theoretical spectroscopy of BASHY dyes
inferred← citeshttps://doi.org/10.1007/s00214-016-1934-5openalex-snapshot
The role of charge transfer in the photophysics of dithiophene-based (NIADs) fluorescent markers for amyloid-β detection
inferred← citeshttps://doi.org/10.1007/s00214-016-1966-xopenalex-snapshot
A qualitative model to identify non-radiative decay channels: the spiropyran as case study
inferred← citeshttps://doi.org/10.1007/s00214-017-2063-5openalex-snapshot
Theoretical study on the bridge comparison of TiO2 nanoparticle sensitizers based on phenoxazine in dye-sensitized solar cells
inferred← citeshttps://doi.org/10.1007/s00214-017-2100-4openalex-snapshot
Theoretical insights into the structural, electronic and optical properties of benzotrithiophene-based hole-transporting materials
inferred← citeshttps://doi.org/10.1007/s00214-017-2106-yopenalex-snapshot
The application of TD-DFT to excited states of a family of TPD molecules interesting for optoelectronic use
inferred← citeshttps://doi.org/10.1007/s00214-018-2242-zopenalex-snapshot
Effect of electron-withdrawing terminal group on BDT-based donor materials for organic solar cells: a theoretical investigation
inferred← citeshttps://doi.org/10.1007/s00214-018-2259-3openalex-snapshot
On the nature of charge-transfer excitations for molecules in aqueous solution: a polarizable QM/MM study
inferred← citeshttps://doi.org/10.1007/s00214-018-2321-1openalex-snapshot
DFT and TD-DFT design of small π-conjugated molecules with narrow band gap and high efficiency for organic solar cells
inferred← citeshttps://doi.org/10.1007/s00214-019-2447-9openalex-snapshot
Comparative studies on the effect of CB[8] on the charge transfer interaction
inferred← citeshttps://doi.org/10.1007/s00214-019-2517-zopenalex-snapshot
Theoretical study of electronic and nonlinear optical properties of Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane derivative with an extended π conjugation
inferred← citeshttps://doi.org/10.1007/s00214-019-2520-4openalex-snapshot
DFT/TDDFT investigation on the D–π–A type molecule probes 4-(5-R-thiophen-2-yl)-2-isobutyl-2H-[1,2,3]triazolo[4,5-e][1,2,4] triazolo[1,5-a]pyrimidines: fluorescence sensing mechanism and roles of weak interactions
inferred← citeshttps://doi.org/10.1007/s00214-021-02764-7openalex-snapshot
Electronic excited states of benzene in interaction with water clusters: influence of structure and size
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