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Mindless Chemistry

https://doi.org/10.1021/jp057107z
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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/jcc.10407openalex-snapshot
Stochastic search for isomers on a quantum mechanical surface
inferredcites →https://doi.org/10.1016/0168-1176(88)80021-1openalex-snapshot
Cluster ions in the laser mass spectra of boron carbide
inferredcites →https://doi.org/10.1016/s0168-583x(99)00178-0openalex-snapshot
Observation of BeC2−, a particularly abundant gaseous dianion
inferredcites →https://doi.org/10.1016/s0301-0104(98)00180-3openalex-snapshot
Modelling aluminium clusters with an empirical many-body potential
inferredcites →https://doi.org/10.1016/s0301-0104(98)00414-5openalex-snapshot
Locating critical points on multi-dimensional surfaces by genetic algorithm: test cases including normal and perturbed argon clusters
inferredcites →https://doi.org/10.1021/ja020116qopenalex-snapshot
The Repulsive Coulomb Barrier along a Dissociation Path of the Be Dianion
inferredcites →https://doi.org/10.1021/ja9940874openalex-snapshot
Computational Studies of C6H2Isomers
inferredcites →https://doi.org/10.1021/jp0031451openalex-snapshot
Theoretical Study on Potential Energy Surface of the Interstellar Molecule SiC2N
inferredcites →https://doi.org/10.1021/jp0211234openalex-snapshot
SiC2P: A Promising Molecule with Two Stable Cyclic Isomers
inferredcites →https://doi.org/10.1021/jp046348oopenalex-snapshot
Theoretical Study on the Structures and Stability of SiC3P Isomers
inferredcites →https://doi.org/10.1021/jp0484074openalex-snapshot
SiC3N: A Promising Interstellar Molecule with Stable Cyclic Isomers
inferredcites →https://doi.org/10.1021/jp052414qopenalex-snapshot
Hollow Cages versus Space-Filling Structures for Medium-Sized Gold Clusters: The Spherical Aromaticity of the Au50 Cage
inferredcites →https://doi.org/10.1046/j.1365-8711.2001.04388.xopenalex-snapshot
On the detection of the linear C5 molecule in the interstellar medium
inferredcites →https://doi.org/10.1051/0004-6361:20021324openalex-snapshot
The interstellar $\mathsf{{\vec C}_3}$ chain molecule in different interstellar environments
inferredcites →https://doi.org/10.1063/1.1445113openalex-snapshot
Scanning the potential energy surface of iron clusters: A novel search strategy
inferredcites →https://doi.org/10.1063/1.1636717openalex-snapshot
Investigating bonding in small silicon–carbon clusters: Exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics
inferredcites →https://doi.org/10.1063/1.1699114openalex-snapshot
Equation of State Calculations by Fast Computing Machines
inferredcites →https://doi.org/10.1063/1.1724816openalex-snapshot
Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
inferredcites →https://doi.org/10.1063/1.1783276openalex-snapshot
Structure of the NaxClx+1− (x=1–4) clusters via ab initio genetic algorithm and photoelectron spectroscopy
inferredcites →https://doi.org/10.1063/1.469969openalex-snapshot
Structure and spectroscopy of phosphorus cluster anions: Theory (simulated annealing) and experiment (photoelectron detachment)
inferredcites →https://doi.org/10.1063/1.472928openalex-snapshot
Density functional studies of aluminum phosphide cluster structures
inferredcites →https://doi.org/10.1063/1.478414openalex-snapshot
Density functional study of carbon clusters C2n (2⩽n⩽16). I. Structure and bonding in the neutral clusters
inferredcites →https://doi.org/10.1063/1.479918openalex-snapshot
The 1Πu← X 1Σg+ electronic spectrum of C5 in the gas phase
inferredcites →https://doi.org/10.1063/1.481340openalex-snapshot
Tunnelling lifetimes of metastable and binding properties of stable covalent BeCn2− (n=4,6) dianions
inferredcites →https://doi.org/10.1086/310622openalex-snapshot
First Astronomical Detection of the Cumulene Carbon Chain Molecule H[TINF]2[/TINF]C[TINF]6[/TINF] in TMC-1
inferredcites →https://doi.org/10.1086/340422openalex-snapshot
Laboratory Detection of a Bent-Chain Carbene Isomer of C[TINF]6[/TINF]H[TINF]2[/TINF]
inferredcites →https://doi.org/10.1103/physrevlett.55.2471openalex-snapshot
Unified Approach for Molecular Dynamics and Density-Functional Theory
inferredcites →https://doi.org/10.1126/science.244.4904.562openalex-snapshot
Detection of C 5 in the Circumstellar Shell of IRC+10216
inferredcites →https://doi.org/10.1166/jctn.2004.010openalex-snapshot
Genetic Algorithms for the Geometry Optimization of Atomic and Molecular Clusters

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4945224openalex-extracted
Boron Oxide B5o6 and B5o6− Clusters with a Hexagonal B3o3 Ring: Overturn of Potential Landscapes by One Electron†
inferred← citeshttps://doi.org/10.1002/ange.3185665openalex-snapshot
Methane Activation by B 5 + Toward a CB 5 H 2 + Isomer Containing a Planar Tetracoordinate Carbon Atom
inferred← citeshttps://doi.org/10.1002/anie.3185665openalex-snapshot
Methane Activation by B 5 + Toward a CB 5 H 2 + Isomer Containing a Planar Tetracoordinate Carbon Atom
inferred← citeshttps://doi.org/10.1002/asia.201701310openalex-snapshot
Dynamic Mg2B8 Cluster: A Nanoscale Compass
inferred← citeshttps://doi.org/10.1002/asia.201900915openalex-snapshot
Divide and Stack Up: Boron‐Based Sandwich Cluster as a Subnanoscale Propeller
inferred← citeshttps://doi.org/10.1002/asia.202500615openalex-snapshot
Boron‐Based Mg2Be2B7− Ternary Cluster Stabilizes a Monocyclic [B7]5− Heptagonal Ring: Chemical Bonding, Double 6π/6σ Aromaticity, and Dynamic Structural Fluxionality
inferred← citeshttps://doi.org/10.1002/chem.201001266openalex-snapshot
Starlike Aluminum–Carbon Aromatic Species
inferred← citeshttps://doi.org/10.1002/chem.201901460openalex-snapshot
Recent Progress on the Design, Characterization, and Application of Superalkalis
inferred← citeshttps://doi.org/10.1002/chem.202302672openalex-snapshot
Planar Hexacoordinate Beryllium: Covalent Bonding Between s–block Metals
inferred← citeshttps://doi.org/10.1002/chem.202304134openalex-snapshot
CBe2H5−: Unprecedented 2σ/2π Double Aromaticity and Dynamic Structural Fluxionality in a Planar Tetracoordinate Carbon Cluster
inferred← citeshttps://doi.org/10.1002/chem.202402132openalex-snapshot
Dynamic Structural Fluxionality in a Planar Tetracoordinate Carbon Cluster Stabilized by Boron Ligands
inferred← citeshttps://doi.org/10.1002/chem.202403790openalex-snapshot
H©Li 4 Au 4 − : Planar Tetracoordinate Hydrogen in an Electrostatic Interaction Dominated Superhalogen Anion
inferred← citeshttps://doi.org/10.1002/chin.200630001openalex-snapshot
Mindless Chemistry.
inferred← citeshttps://doi.org/10.1002/cphc.202400882openalex-snapshot
Planar Pentacoordinate Bromine in Global Minimum Br6Li5−
inferred← citeshttps://doi.org/10.1002/ejic.201501439openalex-snapshot
Binary B4S4 Rhombic Clusters as Promising Inorganic Ligands for Triple‐Decker Sandwich Complexes
inferred← citeshttps://doi.org/10.1002/jcc.20621openalex-snapshot
Global minimum structure searches via particle swarm optimization
inferred← citeshttps://doi.org/10.1002/jcc.21026openalex-snapshot
Kick: Constraining a stochastic search procedure with molecular fragments
inferred← citeshttps://doi.org/10.1002/jcc.21769openalex-snapshot
Efficiency of random search procedures along the silicon cluster series: Sin (n = 5–10, 15, and 20)
inferred← citeshttps://doi.org/10.1002/jcc.22882openalex-snapshot
Identifying clusters as low‐lying mimina—efficiency of stochastic and genetic algorithms using inexpensive electronic structure levels
inferred← citeshttps://doi.org/10.1002/jcc.23420openalex-snapshot
Stochastic structure determination for conformationally flexible heterogenous molecular clusters: Application to ionic liquids
inferred← citeshttps://doi.org/10.1002/jcc.24018openalex-snapshot
Linear, planar, and tubular molecular structures constructed by double planar tetracoordinate carbon D2h C2(BeH)4 species via hydrogen‐bridged BeH2Be bonds
inferred← citeshttps://doi.org/10.1002/jcc.27096openalex-snapshot
3‐D molecular stars with covalent axial bonding
inferred← citeshttps://doi.org/10.1002/open.202300277openalex-snapshot
C5 Pentacle Structures: A Localization‐Delocalization Matrices Approach
inferred← citeshttps://doi.org/10.1002/qua.21322openalex-snapshot
Periodane: A wealth of structural possibilities revealed by the Kick procedure
inferred← citeshttps://doi.org/10.1002/qua.25907openalex-snapshot
Structures and bonding of B4O5 and B4O5− clusters: Emergence of boroxol ring and competition between rhombic B2O2 and hexagonal B3O3 cores
inferred← citeshttps://doi.org/10.1002/qua.26229openalex-snapshot
In search of the smallest boroxol‐type heterocyclic ring system: Planar hexagonal B3S3+ cluster with double 6π/2σ aromaticity
inferred← citeshttps://doi.org/10.1002/qua.70241openalex-snapshot
Li 2 B 8 Featuring Dynamic Fluxionality and High‐Capacity Hydrogen Storage: Insights From Density Functional Theory
inferred← citeshttps://doi.org/10.1002/tcr.201402059openalex-snapshot
The Guinness Molecules for the Carbohydrate Formula
inferred← citeshttps://doi.org/10.1002/tcr.201500284openalex-snapshot
Study of Potential Energy Surfaces towards Global Reaction Route Mapping
inferred← citeshttps://doi.org/10.1007/978-94-007-2076-3_22openalex-snapshot
Systematic Exploration of Chemical Structures and Reaction Pathways on the Quantum Chemical Potential Energy Surface by Means of the Anharmonic Downward Distortion Following Method
inferred← citeshttps://doi.org/10.1007/s00894-011-1314-yopenalex-snapshot
Structural, electronic and magnetic effects of Al-doped niobium clusters: a density functional theory study
inferred← citeshttps://doi.org/10.1007/s00894-013-1831-yopenalex-snapshot
Density functional study of structural and electronic properties of small binary Be n Cu m (n + m = 2∼7) clusters
inferred← citeshttps://doi.org/10.1007/s00894-016-2994-0openalex-snapshot
Hydrogenated superalkalis and their possible applications
inferred← citeshttps://doi.org/10.1007/s00894-020-4292-0openalex-snapshot
Dynamic fluxionality of ternary Mg2BeB8 cluster: a nanocompass
inferred← citeshttps://doi.org/10.1007/s00894-022-05229-1openalex-snapshot
Ternary CE2Ba2 (E = As, Sb) Clusters: New Pentaatomic Planar Tetracoordinate Carbon Species with 18 Valence Electrons
inferred← citeshttps://doi.org/10.1007/s10876-013-0603-2openalex-snapshot
Planar D 2h B26H8, D 2h B26H8 2+, and C 2h B26H6: Building Blocks of Stable Boron Sheets with Twin-Hexagonal Holes
inferred← citeshttps://doi.org/10.1007/s10876-016-1026-7openalex-snapshot
Structure and Chemical Bonding of the B3S n 0/− (n = 2–4) Boron Sulfide Clusters: A Density Functional Theory Investigation
inferred← citeshttps://doi.org/10.1007/s10876-022-02267-wopenalex-snapshot
Probing the Structural, Electronic and Adsorptive Properties of $${{\text{V}}_{\text{n}}}{{{\text{O}}}^{-}}\boldsymbol{ }\text{(n}$$ = 10–15) Clusters
inferred← citeshttps://doi.org/10.1007/s10876-024-02687-wopenalex-snapshot
Theoretical Prediction of the Smallest Sized Tricyclic-Boron Oxide B6O62+
inferred← citeshttps://doi.org/10.1007/s12274-017-1553-zopenalex-snapshot
TGMin: A global-minimum structure search program based on a constrained basin-hopping algorithm
inferred← citeshttps://doi.org/10.1016/j.comptc.2012.06.006openalex-snapshot
Theoretical study of the COLin complexes: Interaction between carbon monoxide and lithium clusters of different sizes
inferred← citeshttps://doi.org/10.1016/j.comptc.2012.11.013openalex-snapshot
Density functional study on structures, stabilities, electronic and magnetic properties of NbnO (n=3–10) clusters
inferred← citeshttps://doi.org/10.1016/j.comptc.2015.07.029openalex-snapshot
A model study of hydrothermal reactions of trigonal dipyramidal Zn5 cluster with two water molecules
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.115021openalex-snapshot
Boron oxide B5O6 and B5O6− clusters with a hexagonal B3O3 ring: Overturn of potential energy landscapes by one electron
inferred← citeshttps://doi.org/10.1016/j.comptc.2026.115769openalex-snapshot
Investigation on structural characteristics and properties of B7O60/− clusters: Four-, five-, and six-membered rings as key structural building blocks
inferred← citeshttps://doi.org/10.1016/j.comptc.2026.116009openalex-snapshot
B7Se2− as a counterexample to terminal BSe multiple-bond dominance: competition between delocalized B7 bonding and terminal BSe multiple bonds
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.10.033openalex-snapshot
Probing the structural and electronic properties of Al-doped small niobium clusters
inferred← citeshttps://doi.org/10.1016/j.cplett.2013.05.014openalex-snapshot
Do nonmetallic superalkali cations exist?
inferred← citeshttps://doi.org/10.1016/j.cplett.2013.05.041openalex-snapshot
The 2D-to-3D geometry hopping in small boron clusters: The charge effect
inferred← citeshttps://doi.org/10.1016/j.cplett.2017.07.010openalex-snapshot
Superhalogen properties of hetero-binuclear anions MM′F4− and MM″F5− (M = Li, Na, M′ = Be, Mg, Ca; M″ = B, Al, Ga)
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.03.059openalex-snapshot
Efficiency enhancements of a restricted stochastic search algorithm for locating local and global minima
inferred← citeshttps://doi.org/10.1016/j.cplett.2024.141294openalex-snapshot
Umbrella boronyl cluster B10O: A new candidate for the transition-metal-like bonding model of boron
inferred← citeshttps://doi.org/10.1016/j.inoche.2025.114995openalex-snapshot
The perfectly triangular B7L3− clusters (L = P/As) with the triple aromaticity
inferred← citeshttps://doi.org/10.1016/j.jallcom.2013.04.022openalex-snapshot
Evolution of the structure and electronic properties of neutral and anion (n=1–7, μ=0, −1) clusters: A comprehensive analysis
inferred← citeshttps://doi.org/10.1016/j.jmgm.2015.04.004openalex-snapshot
Evolution of structure, stability, and nonlinear optical properties of the heterodinuclear CNLi (n= 1–10) clusters
inferred← citeshttps://doi.org/10.1016/j.jmmm.2013.05.038openalex-snapshot
Doping golden cage clusters (M=Cr, Mn; q=0, −1) with adjustable magnetic properties
inferred← citeshttps://doi.org/10.1016/j.molstruc.2023.136769openalex-snapshot
Heterocyclic hexagonal B5O7− and B5O8− clusters: Inorganic benzenes and phenolate anions, dual 3c-4e hypervalent π bonds, and superhalogen anions
inferred← citeshttps://doi.org/10.1016/j.molstruc.2024.140084openalex-snapshot
Chemical bonding and dynamic structural fluxionality of a boron-based MgAlB8+ nanocompass cluster
inferred← citeshttps://doi.org/10.1016/j.poly.2025.117665openalex-snapshot
Acidic microhydrated Portlandite Ca2+(OH−)(H₂O)₂: Temperature driven cyclic to acyclic hydrogen-bonding networks
inferred← citeshttps://doi.org/10.1016/j.rechem.2026.103052openalex-snapshot
Chemical bonding and structural fluxionality of a boron-based B8Ca3 cluster
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.0c01651openalex-snapshot
Dibridged, Monobridged, Vinylidene-Like, and Linear Structures for the Alkaline Earth Dihydrides Be2H2, Mg2H2, Ca2H2, Sr2H2, and Ba2H2. Proposals for Observations
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5c03037openalex-snapshot
Star-like Cluster S 6 Mg 5 2– : A Binary Dianion Global Minimum Featuring a Planar Pentacoordinate Sulfur
inferred← citeshttps://doi.org/10.1021/acs.jced.1c00292openalex-snapshot
Experimental and Theoretical Exploration of Volumetric Properties of Aminobutyric Acid and l -Valine in the Electrolytic Environment at T = 283.15 to 318.15 K and Pressure P = 0.1 MPa
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01746openalex-snapshot
Structure Search with the Strategic Escape Algorithm
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c06401openalex-snapshot
MgC6H2 Isomers: Potential Candidates for Laboratory and Radioastronomical Studies
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c02247openalex-snapshot
Six Low-Lying Isomers of C 11 H 8 Are Unidentified in the Laboratory–A Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b01474openalex-snapshot
Investigation of Properties of Mgn Clusters and Their Hydrogen Storage Mechanism: A Study Based on DFT and a Global Minimum Optimization Method
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c01601openalex-snapshot
Ternary CaBe2B7– Cluster: A Turning Nanoclock
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c02018openalex-snapshot
Alkali-Noble Metal Synergy in F©Li4M4– (M = Ag, Au): A Novel Ionic Framework for Stabilizing Planar Tetracoordinate Fluorine
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c04721openalex-snapshot
Barrier-Free Zinc Dimer Rotor on a Borozene-like BSi53– Stator: The Smallest Molecular Compass with Planar Pentacoordinate Boron
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c05591openalex-snapshot
Zn 5 B 3 – : A Coaxial Double-Ring Molecular Rotor with Multifold Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c07695openalex-snapshot
OLi 4 Au 4 2– : A Planar Tetracoordinate Oxygen Cluster with an OLi 4 Core Armored by Gold
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c08177openalex-snapshot
Cl©K 4 I 4 – : A Star-Like Planar Tetracoordinate Chlorine Superhalogen Anion
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c08545openalex-snapshot
Soft Acid–Base Stabilization of a Planar Pentacoordinate Sulfur in the Dianion [S©Cd 5 S 5 ] 2–
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b03922openalex-snapshot
Density Functional Exploration of C4H3N Isomers
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b10555openalex-snapshot
Does Alkaline-Earth-Metal-Based Superalkali Exist?
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b11789openalex-snapshot
Star-Like CBe5Au5+ Cluster: Planar Pentacoordinate Carbon, Superalkali Cation, and Multifold (π and σ) Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b12479openalex-snapshot
Planar Tricyclic B8O8 and B8O8– Clusters: Boron Oxide Analogues of s-Indacene C12H8
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b08573openalex-snapshot
Planar Pentacoordinate versus Tetracoordinate Carbons in Ternary CBe4Li4 and CBe4Li42– Clusters
inferred← citeshttps://doi.org/10.1021/acsomega.5c09848openalex-snapshot
Structures and Chemical Bonding of B 5 O 7 +/0/– with a Hexagonal B 3 O 3 Ring†
inferred← citeshttps://doi.org/10.1021/acsomega.6c04129openalex-snapshot
Dual-Scandium-Capped Boron Cage: Structural and Electronic Properties of B 10 Sc 2
inferred← citeshttps://doi.org/10.1021/acsomega.6c06109openalex-snapshot
Mixed Localized and Delocalized Bonding in a Linear-B3-Centered B3Mg6– Cluster
inferred← citeshttps://doi.org/10.1021/acsomega.9b02869openalex-snapshot
CLiAl2E and CLi2AlE (E = P, As, Sb, Bi): Planar Tetracoordinate Carbon Clusters with 16 and 14 Valence Electrons
inferred← citeshttps://doi.org/10.1021/acsphyschemau.3c00043openalex-snapshot
A Vision for the Future of Astrochemistry in the Interstellar Medium by 2050
inferred← citeshttps://doi.org/10.1021/ct1006482openalex-snapshot
A Stochastic Search for the Structures of Small Germanium Clusters and Their Anions: Enhanced Stability by Spherical Aromaticity of the Ge 10 and Ge 12 2− Systems
inferred← citeshttps://doi.org/10.1021/ct800511qopenalex-snapshot
“Mindless” DFT Benchmarking
inferred← citeshttps://doi.org/10.1021/ic060802gopenalex-snapshot
Planar Tetracoordinate Carbon Atoms Centered in Bare Four-membered Rings of Late Transition Metals
inferred← citeshttps://doi.org/10.1021/ic202675jopenalex-snapshot
Theoretical Study on Polynuclear Superalkali Cations with Various Functional Groups as the Central Core
inferred← citeshttps://doi.org/10.1021/ic800993bopenalex-snapshot
Cyclic Boron Clusters Enclosing Planar Hypercoordinate Cobalt, Iron, and Nickel
inferred← citeshttps://doi.org/10.1021/ic901377hopenalex-snapshot
Planar Hepta-, Octa-, Nona-, and Decacoordinate First Row d-Block Metals Enclosed by Boron Rings
inferred← citeshttps://doi.org/10.1021/ja074956mopenalex-snapshot
Boron Rings Enclosing Planar Hypercoordinate Group 14 Elements
inferred← citeshttps://doi.org/10.1021/ja307605topenalex-snapshot
B 22 – and B 23 – : All-Boron Analogues of Anthracene and Phenanthrene
inferred← citeshttps://doi.org/10.1021/ja902980jopenalex-snapshot
Modeling Dinitrogen Activation by Lithium: A Mechanistic Investigation of the Cleavage of N2 by Stepwise Insertion into Small Lithium Clusters
inferred← citeshttps://doi.org/10.1021/jacs.7b11009openalex-snapshot
Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods
inferred← citeshttps://doi.org/10.1021/jo401316aopenalex-snapshot
Mechanistic and Chiroptical Studies on the Desulfurization of Epidithiodioxopiperazines Reveal Universal Retention of Configuration at the Bridgehead Carbon Atoms
inferred← citeshttps://doi.org/10.1021/jp104961ropenalex-snapshot
Ionic Liquid Structures from Large Density Functional Theory Calculations Using Mindless Configurations
inferred← citeshttps://doi.org/10.1021/jp110417zopenalex-snapshot
Ab Initio Investigation on a New Class of Binuclear Superalkali Cations M2Li2k+1+ (F2Li3+, O2Li5+, N2Li7+, and C2Li9+)
inferred← citeshttps://doi.org/10.1021/jp210993kopenalex-snapshot
Prereactive Complexes in Chlorination of Benzene, Triazine, and Tetrazine: A Quantum Chemical Study
inferred← citeshttps://doi.org/10.1021/jp300302wopenalex-snapshot
CAl2Be32– and Its Salt Complex LiCAl2Be3–: Anionic Global Minima with Planar Pentacoordinate Carbon
inferred← citeshttps://doi.org/10.1021/jp402395vopenalex-snapshot
Structures and Transition States of Ge2CH2
inferred← citeshttps://doi.org/10.1021/jp411400mopenalex-snapshot
Thermodynamic Stability versus Kinetic Stability: Is the Planar Hexacoordinate Carbon Species D3h CN3Mg3+ Viable?
inferred← citeshttps://doi.org/10.1021/jp8099187openalex-snapshot
Simplest Neutral Singlet C2E4(E = Al, Ga, In, and Tl) Global Minima with Double Planar Tetracoordinate Carbons: Equivalence of C2Moieties in C2E4to Carbon Centers in CAl42−and CAl5+
inferred← citeshttps://doi.org/10.1021/jp900950kopenalex-snapshot
Lithium-Doped Germanium Nanowire? Experimental and Theoretical Indication
inferred← citeshttps://doi.org/10.1038/s42004-021-00620-0openalex-snapshot
Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B7O7-BO]− (M = Fe, Ru, Os) complexes
inferred← citeshttps://doi.org/10.1039/9781839167744-00069openalex-snapshot
Tours on Potential Energy Surfaces
inferred← citeshttps://doi.org/10.1039/9781839169656-00382openalex-snapshot
Computational Insights of Dimensional Organic Materials
inferred← citeshttps://doi.org/10.1039/b719311bopenalex-snapshot
Computational organic chemistry
inferred← citeshttps://doi.org/10.1039/c0cc03479gopenalex-snapshot
CAl4Be and CAl3Be2−: global minima with a planar pentacoordinate carbon atom
inferred← citeshttps://doi.org/10.1039/c1cp21927hopenalex-snapshot
Perfectly planar concentric π-aromatic B18H3−, B18H4, B18H5+, and B18H62+ with [10]annulene character
inferred← citeshttps://doi.org/10.1039/c2cp40112fopenalex-snapshot
Probing the structural and electronic properties of small vanadium monoxide clusters
inferred← citeshttps://doi.org/10.1039/c2cp41822copenalex-snapshot
D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes
inferred← citeshttps://doi.org/10.1039/c2dt31429kopenalex-snapshot
Prediction and characterization of novel polynuclear superalkali cations
inferred← citeshttps://doi.org/10.1039/c3cp50167aopenalex-snapshot
Photoelectron spectroscopy of aromatic compound clusters of the B12 all-boron benzene: B12Au− and B12(BO)−
inferred← citeshttps://doi.org/10.1039/c3cp55362kopenalex-snapshot
Photoelectron spectroscopy of lithium and gold alloyed boron oxide clusters: charge transfer complexes, covalent gold, hyperhalogen, and dual three-center four-electron hyperbonds
inferred← citeshttps://doi.org/10.1039/c4cp00406jopenalex-snapshot
Chemical bonding in electron-deficient boron oxide clusters: core boronyl groups, dual 3c–4e hypervalent bonds, and rhombic 4c–4e bonds
inferred← citeshttps://doi.org/10.1039/c4cp04480kopenalex-snapshot
Hydrocarbon growth via ion-molecule reactions: computational studies of the isomers of C 4 H 2 + , C 6 H 2 + and C 6 H 4 + and their formation paths from acetylene and its fragments
inferred← citeshttps://doi.org/10.1039/c4dt02347aopenalex-snapshot
Trivalent acid radical-centered YLi 4 + (Y = PO 4 , AsO 4 , VO 4 ) cations: new polynuclear species designed to enrich the superalkali family
inferred← citeshttps://doi.org/10.1039/c5cp00812copenalex-snapshot
Boronyl as a terminal ligand in boron oxide clusters: hexagonal ring C 2v B 6 O 4 and ethylene-like D 2h B 6 O 4 −/2−
inferred← citeshttps://doi.org/10.1039/c5cp02394gopenalex-snapshot
Ternary B 2 X 2 H 2 (X = O and S) rhombic clusters and their potential use as inorganic ligands in sandwich-type (B 2 X 2 H 2 ) 2 Ni complexes
inferred← citeshttps://doi.org/10.1039/c5cp04519copenalex-snapshot
On the structure and bonding in the B 4 O 4 + cluster: a boron oxide analogue of the 3,5-dehydrophenyl cation with p and s double aromaticity
inferred← citeshttps://doi.org/10.1039/c6cp00532bopenalex-snapshot
On the nature of bonding in binary Be 2 O 2 and Si 2 O 2 clusters: rhombic four-center four-electron π and σ bonds
inferred← citeshttps://doi.org/10.1039/c6cp03952aopenalex-snapshot
Planar B 3 S 2 H 3 − and B 3 S 2 H 3 clusters with a five-membered B 3 S 2 ring: boron–sulfur hydride analogues of cyclopentadiene
inferred← citeshttps://doi.org/10.1039/c6cp07954gopenalex-snapshot
Pentagonal five-center four-electron π bond in ternary B 3 N 2 H 5 cluster: an extension of the concept of three-center four-electron ω bond
inferred← citeshttps://doi.org/10.1039/c6nj00584eopenalex-snapshot
Remarkable NLO responses of hyperalkalized species: the size effect and atomic number dependence
inferred← citeshttps://doi.org/10.1039/c6tc04356aopenalex-snapshot
Zigzag double-chain C–Be nanoribbon featuring planar pentacoordinate carbons and ribbon aromaticity
inferred← citeshttps://doi.org/10.1039/c7cp04327aopenalex-snapshot
Wheel-like, elongated, circular, and linear geometries in boron-based C n B 7−n (n = 0–7) clusters: structural transitions and aromaticity
inferred← citeshttps://doi.org/10.1039/c7cp08420jopenalex-snapshot
Ternary CBe 4 Au 4 cluster: a 16-electron system with quasi-planar tetracoordinate carbon
inferred← citeshttps://doi.org/10.1039/c7cp08512eopenalex-snapshot
A photoelectron spectroscopy and quantum chemical study on ternary Al–B–O clusters: Al n BO 2 − and Al n BO 2 ( n = 2, 3)
inferred← citeshttps://doi.org/10.1039/c7nr03193aopenalex-snapshot
Why nanoscale tank treads move? Structures, chemical bonding, and molecular dynamics of a doped boron cluster B 10 C
inferred← citeshttps://doi.org/10.1039/c7ra12852eopenalex-snapshot
The behavior of the aluminum trimer when combining with different superatom clusters
inferred← citeshttps://doi.org/10.1039/c8cp01193aopenalex-snapshot
CB 3 E 2 q ( q = ±1): a family of “hyparene” analogues with a planar pentacoordinate carbon
inferred← citeshttps://doi.org/10.1039/c8cp04332aopenalex-snapshot
Boron-based binary Be 6 B 10 2− cluster: three-layered aromatic sandwich, electronic transmutation, and dynamic structural fluxionality
inferred← citeshttps://doi.org/10.1039/c8dt02683aopenalex-snapshot
Simulating the effect of a triple bond to achieve the shortest main group metal–metal distance in diberyllium complexes: a computational study
inferred← citeshttps://doi.org/10.1039/c8na00256hopenalex-snapshot
Starting a subnanoscale tank tread: dynamic fluxionality of boron-based B 10 Ca alloy cluster
inferred← citeshttps://doi.org/10.1039/c8ra07664bopenalex-snapshot
Stabilization of beryllium-containing planar pentacoordinate carbon species through attaching hydrogen atoms
inferred← citeshttps://doi.org/10.1039/c9cp03611copenalex-snapshot
Sandwich-type Na 6 B 7 − and Na 8 B 7 + clusters: charge-transfer complexes, four-fold π/σ aromaticity, and dynamic fluxionality
inferred← citeshttps://doi.org/10.1039/c9cp04437jopenalex-snapshot
Ternary 12-electron CBe 3 X 3 + (X = H, Li, Na, Cu, Ag) clusters: planar tetracoordinate carbons and superalkali cations
inferred← citeshttps://doi.org/10.1039/c9cp06145bopenalex-snapshot
Si 2 C 5 H 2 isomers – search algorithms versus chemical intuition
inferred← citeshttps://doi.org/10.1039/c9dt00630copenalex-snapshot
Computational design of species with ultrashort Be–Be distances using planar hexacoordinate carbon structures as the templates
inferred← citeshttps://doi.org/10.1039/c9nj02819fopenalex-snapshot
Be 2 B 6 and Be 2 B 7 + : two double aromatic inverse sandwich complexes with spin-triplet ground state
inferred← citeshttps://doi.org/10.1039/d0cc02973dopenalex-snapshot
Planar or tetrahedral? A ternary 17-electron CBe 5 H 4 + cluster with planar pentacoordinate carbon
inferred← citeshttps://doi.org/10.1039/d0cp01106aopenalex-snapshot
Influence of stepwise oxidation on the structure, stability, and properties of planar pentacoordinate carbon species CAl 5 +
inferred← citeshttps://doi.org/10.1039/d0cp03123bopenalex-snapshot
Boron-based ternary Rb 6 Be 2 B 6 cluster featuring unique sandwich geometry and a naked hexagonal boron ring
inferred← citeshttps://doi.org/10.1039/d0cp03703fopenalex-snapshot
The structure and chemical bonding in inverse sandwich B 6 Ca 2 and B 8 Ca 2 clusters: conflicting aromaticity vs. double aromaticity
inferred← citeshttps://doi.org/10.1039/d0cp05012aopenalex-snapshot
Anchoring a bow-shaped boron single chain in binary Be 6 B 7 − cluster: hybrid octagonal ring, multifold π/σ aromaticity, and dual electronic transmutation
inferred← citeshttps://doi.org/10.1039/d0cp06179dopenalex-snapshot
Systematic cluster growth: a structure search method for transition metal clusters
inferred← citeshttps://doi.org/10.1039/d0nj03944fopenalex-snapshot
Planar tetracoordinate carbon molecules with 14 valence electrons: examples of CBe 4 M n n−2 (M = Li, Au; n = 1–3) clusters
inferred← citeshttps://doi.org/10.1039/d0nj05961gopenalex-snapshot
Boron-based Be 2 B 5 +/0/− alloy clusters: inverse sandwiches with pentagonal boron ring and reduction-induced structural transformation to molecular wheel structure
inferred← citeshttps://doi.org/10.1039/d1cc07313copenalex-snapshot
Planar pentacoordinate carbon in a sulphur-surrounded boron wheel: the global minimum of CB 5 S 5 +
inferred← citeshttps://doi.org/10.1039/d1cp05226hopenalex-snapshot
Ternary 14-electron XB 2 Be 2 (X = Si, Ge, Sn, Pb) clusters: a planar tetracoordinate silicon (ptSi) system and its ptGe/Sn/Pb congeners
inferred← citeshttps://doi.org/10.1039/d1ra02178hopenalex-snapshot
Nitrogen versus carbon in planar pentacoordinate environments supported by Be 5 H n rings
inferred← citeshttps://doi.org/10.1039/d2cp00315eopenalex-snapshot
Why an integrated approach between search algorithms and chemical intuition is necessary?
inferred← citeshttps://doi.org/10.1039/d2cp01277dopenalex-snapshot
Structures and chemical bonding of boron-based B 12 O and B 11 Au clusters. A counterexample in boronyl chemistry
inferred← citeshttps://doi.org/10.1039/d2cp01496copenalex-snapshot
Binary mono-anions with unprecedented anti-aromatic planar tetracoordinate carbon and nitrogen atoms
inferred← citeshttps://doi.org/10.1039/d2cp04195bopenalex-snapshot
Y©B 8 C 4 cluster: a boron–carbon molecular wheel with dodeca-coordination number in plane
inferred← citeshttps://doi.org/10.1039/d2cp04743hopenalex-snapshot
18-valence-electron rule lighted planar tetracoordinate carbon and nitrogen: the global energy minima of CAl 4 Zn and NAl 4 Zn +
inferred← citeshttps://doi.org/10.1039/d2cp04948aopenalex-snapshot
Be 3 B 11 − cluster: a dynamically fluxional beryllo-borospherene
inferred← citeshttps://doi.org/10.1039/d2nj04951aopenalex-snapshot
Boron-based tubular BeB 12 + and quasi-planar BeB 12 0/− clusters: structural transformation and chemical bonding
inferred← citeshttps://doi.org/10.1039/d2nj05352gopenalex-snapshot
A plier-shaped binary molecular wheel B 7 Mg 4 + cluster: hybrid in-plane heptacoordination, double π/σ aromaticity, and electronic transmutation
inferred← citeshttps://doi.org/10.1039/d2ra00692hopenalex-snapshot
The unique sandwich K 6 Be 2 B 6 H 6 cluster with a real borozene B 6 H 6 core
inferred← citeshttps://doi.org/10.1039/d2ra07155jopenalex-snapshot
The dodeca-coordinated La©B 8 C 4 +/0/− molecular wheels: conflicting aromaticity versus double aromaticity
inferred← citeshttps://doi.org/10.1039/d2ra07268hopenalex-snapshot
Chemical bonding and dynamic structural fluxionality of a boron-based Al 2 B 8 binary cluster: the robustness of a doubly 6π/6σ aromatic [B 8 ] 2− molecular wheel
inferred← citeshttps://doi.org/10.1039/d3cp03159dopenalex-snapshot
Boron-based Pd 3 B 26 alloy cluster as a nanoscale antifriction bearing system: tubular core–shell structure, double π/σ aromaticity, and dynamic structural fluxionality
inferred← citeshttps://doi.org/10.1039/d3cp05290gopenalex-snapshot
Breaking the Hoff/Le Bel rule by an electron-compensation strategy: the global energy minimum of NGa 4 S 4 +
inferred← citeshttps://doi.org/10.1039/d3nr05695copenalex-snapshot
CBe 4 H 6 : a molecular rotor with a built-in on–off switch
inferred← citeshttps://doi.org/10.1039/d4cp04625kopenalex-snapshot
Planar tetracoordinate fluorine in a FMg 4 Se 4 − cluster
inferred← citeshttps://doi.org/10.1039/d4dt03054kopenalex-snapshot
Endohedral boron-doped scandium clusters B m Sc n − m +/0 ( m = 2–3, n = 3–13): triangular – linear rearrangement of the B 3 dopant
inferred← citeshttps://doi.org/10.1039/d5cp01812aopenalex-snapshot
Structural diversity in B 7 O 7 +/0/− clusters: emergence of a seven-membered ring and an inverted heart-like ring stabilized by 3c–2e localized bonds
inferred← citeshttps://doi.org/10.1039/d5dt00170fopenalex-snapshot
Be 7 Au 6 : rare over-delocalization of valence electrons in a star-like planar hexacoordinate beryllium cluster
inferred← citeshttps://doi.org/10.1039/d5dt00740bopenalex-snapshot
D 4h OMg 4 S 4 2− : a global minimum featuring a planar tetracoordinate oxygen
inferred← citeshttps://doi.org/10.1039/d5ra09683aopenalex-snapshot
Isovalent effects on the structural and electronic features of scandium-doped aluminum clusters Sc m Al n − m +/0/− with m = 1–2, n = 3–15
inferred← citeshttps://doi.org/10.1039/d5sc02361kopenalex-snapshot
A planar pentacoordinate oxygen in the experimentally observed [Be 5 O 6 ] 2− dianion
inferred← citeshttps://doi.org/10.1039/d6cc02185aopenalex-snapshot
Planar tetracoordinate carbon in boron-based cluster CB 4 S 6 stabilized by peripheral bridging sulfur atoms
inferred← citeshttps://doi.org/10.1039/d6cc05755aopenalex-snapshot
Ng 4 S 2+ (Ng = Ar, Kr, Xe): heavier noble gas stabilized planar tetracoordinate sulfur dications
inferred← citeshttps://doi.org/10.1039/d6ra02270gopenalex-snapshot
Boron-substituted aluminum clusters B 3 Al n −3 +/0/− ( n = 3–21): stability, halogen properties and ring current characters
inferred← citeshttps://doi.org/10.1063/1.2646940openalex-snapshot
SASS: A symmetry adapted stochastic search algorithm exploiting site symmetry
inferred← citeshttps://doi.org/10.1063/1.3206298openalex-snapshot
Are isomers of the vinyl cyanide ion missing links for interstellar pyrimidine formation?
inferred← citeshttps://doi.org/10.1063/1.3254835openalex-snapshot
Low ionization potentials of binuclear superalkali B2Li11
inferred← citeshttps://doi.org/10.1063/1.3599452openalex-snapshot
All-boron analogues of aromatic hydrocarbons: B17− and B18−
inferred← citeshttps://doi.org/10.1063/1.3692967openalex-snapshot
A photoelectron spectroscopy and ab initio study of B21−: Negatively charged boron clusters continue to be planar at 21
inferred← citeshttps://doi.org/10.1063/1.4737863openalex-snapshot
Probing the structures and chemical bonding of boron-boronyl clusters using photoelectron spectroscopy and computational chemistry: B4(BO) n − ( n = 1–3)
inferred← citeshttps://doi.org/10.1063/1.4760658openalex-snapshot
Probing the structural and electronic properties of small vanadium dioxide clusters by density functional theory and comparison with experimental photoelectron spectroscopy
inferred← citeshttps://doi.org/10.1063/1.4792501openalex-snapshot
On the structures and bonding in boron-gold alloy clusters: B6Aun− and B6Aun (n = 1−3)
inferred← citeshttps://doi.org/10.1063/1.4811330openalex-snapshot
Perfectly planar boronyl boroxine D3h B6O6: A boron oxide analog of boroxine and benzene
inferred← citeshttps://doi.org/10.1063/1.4816010openalex-snapshot
Photoelectron spectroscopy of boron-gold alloy clusters and boron boronyl clusters: B3Aun− and B3(BO)n− (n = 1, 2)
inferred← citeshttps://doi.org/10.1063/1.4826138openalex-snapshot
Relative energies, structures, vibrational frequencies, and electronic spectra of pyrylium cation, an oxygen-containing carbocyclic ring isoelectronic with benzene, and its isomers
inferred← citeshttps://doi.org/10.1063/1.4867364openalex-snapshot
D3h [A-CE3-A]− (E = Al and Ga, A = Si, Ge, Sn, and Pb): A new class of hexatomic mono-anionic species with trigonal bipyramidal carbon
inferred← citeshttps://doi.org/10.1063/1.4904289openalex-snapshot
Planar dicyclic B6S6, B6S6−, and B6S62− clusters: Boron sulfide analogues of naphthalene
inferred← citeshttps://doi.org/10.1063/1.4954658openalex-snapshot
Star-like superalkali cations featuring planar pentacoordinate carbon
inferred← citeshttps://doi.org/10.1063/1674-0068/cjcp2204058openalex-snapshot
Be2H3L2− (L=CH3 and F–I): Hyperhalogen anions with ultrashort beryllium-beryllium distances
inferred← citeshttps://doi.org/10.1063/1674-0068/cjcp2211163openalex-snapshot
Adaptability of electron-localization strategy for achieving planar tetracoordination: Nitrogen versus carbon
inferred← citeshttps://doi.org/10.1063/5.0143021openalex-snapshot
NAl4X4+ (X = S, Se, Te): Clusters with a planar tetracoordinate nitrogen and significantly improved stability
inferred← citeshttps://doi.org/10.1063/5.0188035openalex-snapshot
Tetracoordinate or tricoordinate? Planar tetracoordinate nitrogen in the NBe4H4− cluster stabilized by multicenter bonds
inferred← citeshttps://doi.org/10.1063/5.0215182openalex-snapshot
Structures and chemical bonding of B6O50/−/2−: The first boron oxide clusters with five-membered ring and their structural diversity
inferred← citeshttps://doi.org/10.1063/5.0259060openalex-snapshot
Li4F4−: Planar tetracoordinate fluorine in a highly viable binary mono-anionic cluster
inferred← citeshttps://doi.org/10.1063/5.0278854openalex-snapshot
OLi4H3−: A planar tetracoordinate oxygen cluster with dynamic structural fluxionality
inferred← citeshttps://doi.org/10.1063/5.0292799openalex-snapshot
Quasi-triple bonds and ultrashort Be–Be distances in binary superhalogen clusters [X–Be2(BeX)3–X]− (X = Cl, Br, I)
inferred← citeshttps://doi.org/10.1063/5.0299288openalex-snapshot
Realization of heptagonal pyramidal octacoordination in highly robust [OB–M©B7O7]− (M = Co, Rh, Ir) complexes via boron–oxygen synergy
inferred← citeshttps://doi.org/10.1071/ch08269openalex-snapshot
Computational Study of CO Reactivity with Nb3X Heteronuclear Clusters
inferred← citeshttps://doi.org/10.1103/physrevlett.107.085504openalex-snapshot
Graph Theory MeetsAb InitioMolecular Dynamics: Atomic Structures and Transformations at the Nanoscale
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