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Thermochemical Properties and Electronic Structure of Boron Oxides BnOm (n = 5−10, m = 1−2) and Their Anions
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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B6O‐Based Composite to Rival Polycrystalline Cubic Boron Nitride
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A New Look at Electron Localization
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Hepta‐ and Octacoordinate Boron in Molecular Wheels of Eight‐ and Nine‐Atom Boron Clusters: Observation and Confirmation
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Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F
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Theoretical Study of Structure and Stability of B n O and B n O2 Clusters
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The structure, stability, and infrared spectrum of B2N, B2N+, B2N−, BO, B2O and B2N2.
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A comparative ab initio study of the molecular structures and electronic properties of diboron trioxide O(BO)2 and dicyanoether O(CN)2
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A graphics program for the analysis and display of molecular dynamics trajectories
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Density-functional theory of atoms and molecules
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All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry
inferredcites →https://doi.org/10.1016/j.cplett.2005.10.079openalex-snapshot
Hyperfine coupling constants for N2+ , BO, AlO and GaO in rare gas matrices, using the polarizable continuum model
inferredcites →https://doi.org/10.1016/j.cplett.2005.11.037openalex-snapshot
Comparison of trigonal B2O3 structures with high and low space-group symmetry
inferredcites →https://doi.org/10.1016/j.cplett.2007.11.030openalex-snapshot
The boron buckyball has an unexpected Th symmetry
inferredcites →https://doi.org/10.1016/j.cplett.2008.07.020openalex-snapshot
Chemical bonding in the boron buckyball
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Delocalization resonance energy of the allylic radical from the geometrical isomerization of hexa-1,3,5-trienes
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Computational tools for the electron localization function topological analysis
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Visualization of solvation structures in liquid mixtures
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Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches
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All-Metal Aromaticity and Antiaromaticity
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Effects of Composition, Structure, and H Atom Addition on the Chemistry of Boron Oxide Cluster Ions with HF
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Ab initio molecular orbital study of adducts and oxides of boron hydrides
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Ground states of conjugated molecules. XI. Improved treatment of hydrocarbons
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Electron Affinities of Aln Clusters and Multiple-Fold Aromaticity of the Square Al42- Structure
inferredcites →https://doi.org/10.1021/ja072611yopenalex-snapshot
Boronyls as Key Structural Units in Boron Oxide Clusters: B(BO) 2 - and B(BO) 3 -
inferredcites →https://doi.org/10.1021/ja0771080openalex-snapshot
B 2 (BO) 2 2 - Diboronyl Diborene: A Linear Molecule with a Triple Boron−Boron Bond
inferredcites →https://doi.org/10.1021/jp013909sopenalex-snapshot
On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl
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Theoretical Study of the Reaction Mechanism of BO, B2O2, and BS with H2
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Rare Gas Effects on Hyperfine Coupling Constants of BO, AlO, and GaO
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Gold Apes Hydrogen. The Structure and Bonding in the Planar B7Au2- and B7Au2 Clusters
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Heats of Formation of Beryllium, Boron, Aluminum, and Silicon Re-examined by Means of W4 Theory
inferredcites →https://doi.org/10.1021/jp0726182openalex-snapshot
Structure and Stability of Small Boron and Boron Oxide Clusters
inferredcites →https://doi.org/10.1021/jp711332kopenalex-snapshot
Theoretical Study of Glass Systems using Molecular Electronic Structure Theory. 2. Structure and Spectroscopy of the B2O3 Glass
inferredcites →https://doi.org/10.1021/jp809463jopenalex-snapshot
T d B(BO) 4 − : A Tetrahedral Boron Oxide Cluster Analogous to Boron Hydride T d BH 4 −
inferredcites →https://doi.org/10.1021/jp811391vopenalex-snapshot
Thermochemistry and Electronic Structure of Small Boron and Boron Oxide Clusters and Their Anions
inferredcites →https://doi.org/10.1021/jp9516710openalex-snapshot
Topographical Features of Potential Energy Surfaces of the B + O2 Chemical Reaction
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Predicting the Proton Affinities of H2O and NH3
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Boron Oxide Oligomer Collision-Induced Dissociation: Thermochemistry, Structure, and Implications for Boron Combustion
inferredcites →https://doi.org/10.1021/jp981734popenalex-snapshot
Heats of Formation of Simple Boron Compounds
inferredcites →https://doi.org/10.1021/jp982655gopenalex-snapshot
Heats of Formation of CF2, FCO, and CF2O
inferredcites →https://doi.org/10.1021/jp982664popenalex-snapshot
Reactions of Boron Oxide and BnOmH+Cluster Ions with Water
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Heats of Formation of Simple Perfluorinated Carbon Compounds
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Theoretical Study of the Heats of Formation of Small Silicon-Containing Compounds
inferredcites →https://doi.org/10.1021/jp992585topenalex-snapshot
Electronic and Geometrical Structure of the Sc[BO]+ Cation. An Ab Initio Investigation
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Predicting the Heats of Formation of Model Hydrocarbons up to Benzene
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Classification of chemical bonds based on topological analysis of electron localization functions
inferredcites →https://doi.org/10.1038/nmat1012openalex-snapshot
Hydrocarbon analogues of boron clusters — planarity, aromaticity and antiaromaticity
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Heats of formation and ionization energies of NHx, x=0–3
inferredcites →https://doi.org/10.1063/1.1388045openalex-snapshot
Extended benchmark studies of coupled cluster theory through triple excitations
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Sigma–pi separation of the electron localization function and aromaticity
inferredcites →https://doi.org/10.1063/1.3008061openalex-snapshot
A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures
inferredcites →https://doi.org/10.1063/1.447079openalex-snapshot
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
inferredcites →https://doi.org/10.1063/1.454989openalex-snapshot
Oxidation of small boron cluster ions (B+1–13) by oxygen
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A simple measure of electron localization in atomic and molecular systems
inferredcites →https://doi.org/10.1063/1.458571openalex-snapshot
Interaction of boron cluster ions with water: Single collision dynamics and sequential etching
inferredcites →https://doi.org/10.1063/1.460274openalex-snapshot
Reactions of boron cluster ions (B+n, n=2–24) with N2O: NO versus NN bond activation as a function of size
inferredcites →https://doi.org/10.1063/1.464299openalex-snapshot
Boron oxides: Ab initio studies with natural bond orbital analysis
inferredcites →https://doi.org/10.1063/1.464582openalex-snapshot
Fermi polyads and rovibronic spectrum of the X 2Πg state of BO2
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.465815openalex-snapshot
Electron propagator theory of BO2 and BO−2 electronic structure
inferredcites →https://doi.org/10.1063/1.473182openalex-snapshot
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
inferredcites →https://doi.org/10.1063/1.475370openalex-snapshot
An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set
inferredcites →https://doi.org/10.1063/1.477422openalex-snapshot
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
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Gaussian-3 theory using density functional geometries and zero-point energies
inferredcites →https://doi.org/10.1063/1.478747openalex-snapshot
Re-examination of atomization energies for the Gaussian-2 set of molecules
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A comparison of techniques for predicting higher order correlation effects: Diatomic dissociation energies
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Performance of CCSDT for diatomic dissociation energies
inferredcites →https://doi.org/10.1070/rc1993v062n06abeh000031openalex-snapshot
The molecular spectra and structure of the oxides of boron and aluminium
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A theoretical calculation of some low-lying electronic states of BO2 +
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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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Topological analysis of the electron localization function applied to delocalized bonds
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Properties of Boron Nanocrystals, Borophene, and its Polymorphs
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The Boron conundrum: the case of cationic clusters B n + with n = 2–20
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Crown-like charge-transfer lithium-doped boron oxide complexes B8O2Li+/0
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Theoretical Prediction of the Smallest Sized Tricyclic-Boron Oxide B6O62+
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B n (BO) n 2− , CB n−1(BO) n − , and C2B n−2(BO) n (n = 5−12): Cage-like boron oxide clusters analogous to closo-B n H n 2− , CB n−1H n − , and C2B n−2H n
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Boron oxide B5O6 and B5O6− clusters with a hexagonal B3O3 ring: Overturn of potential energy landscapes by one electron
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Structure of boron clusters revisited, B with n= 14–20
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Heats of formation and thermochemical parameters of small silicon clusters and their ions, Sin+/0/- with n= 2–13
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Heat of formation and thermochemical parameters of silole
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Impressive capacity of the B7− and V2B7 clusters for CO2 capture
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Observation of π-Backbonding in a Boronyl-Coordinated Transition Metal Complex TaBO–
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