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Charge transfer associated with the physical process of hardness equalization and the chemical event of the molecule formation and the dipole moments
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/1097-461x(2000)80:1<1::aid-qua1>3.0.co;2-dopenalex-snapshot
Quantum chemical study of the umbrella inversion of the ammonia molecule
inferredcites →https://doi.org/10.1002/jcc.20543openalex-snapshot
Unicorns in the world of chemical bonding models
inferredcites →https://doi.org/10.1002/jcc.540130716openalex-snapshot
Electronegativity and Bader's bond critical point
inferredcites →https://doi.org/10.1002/jps.2600590341openalex-snapshot
The Molecular Orbital Theory of Organic Chemistry
inferredcites →https://doi.org/10.1002/qua.10087openalex-snapshot
Density functional and molecular orbital study of physical process of inversion of nitrogen trifluoride (NF3) molecule
inferredcites →https://doi.org/10.1002/qua.20690openalex-snapshot
Computation of quantum mechanical hybridization and dipole correlation of the electronic structure of the F 3 B–NH 3 supermolecule
inferredcites →https://doi.org/10.1002/qua.22499openalex-snapshot
A quest for the algorithm for evaluating the molecular hardness
inferredcites →https://doi.org/10.1002/qua.22508openalex-snapshot
Whether there is a hardness equalization principle analogous to the electronegativity equalization principle—A quest
inferredcites →https://doi.org/10.1007/s100190050023openalex-snapshot
Chemical and physical “hardness”
inferredcites →https://doi.org/10.1016/0009-2614(78)89109-xopenalex-snapshot
Molecular dipole moments and electronegativity
inferredcites →https://doi.org/10.1016/0009-2614(95)00280-hopenalex-snapshot
The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions
inferredcites →https://doi.org/10.1016/0166-1280(95)04181-5openalex-snapshot
A non-empirical electronegativity equalization scheme. Theory and applications using isolated atom properties
inferredcites →https://doi.org/10.1016/0301-0104(81)85173-7openalex-snapshot
Electronegativity and a model hamiltonian for chemical applications
inferredcites →https://doi.org/10.1016/0306-4549(89)90016-9openalex-snapshot
Density-functional theory of atoms and molecules
inferredcites →https://doi.org/10.1016/b978-0-12-750550-3.x5001-0openalex-snapshot
Group Theory - And its Application to the Quantum Mechanics of Atomic Spectra
inferredcites →https://doi.org/10.1016/j.theochem.2008.06.020openalex-snapshot
The wave mechanical evaluation of the absolute radii of atoms
inferredcites →https://doi.org/10.1021/ar00029a004openalex-snapshot
The principle of maximum hardness
inferredcites →https://doi.org/10.1021/cr00005a013openalex-snapshot
A quantum theory of molecular structure and its applications
inferredcites →https://doi.org/10.1021/cr990029popenalex-snapshot
Conceptual Density Functional Theory
inferredcites →https://doi.org/10.1021/ed060p640openalex-snapshot
Convenient relations for the estimation of bond ionicity in A-B type compounds
inferredcites →https://doi.org/10.1021/ed064p561openalex-snapshot
Recent advances in the concept of hard and soft acids and bases
inferredcites →https://doi.org/10.1021/j100027a011openalex-snapshot
Electronegativity and Static Electric Dipole Polarizability of Atomic Species. A Semiempirical Relation
inferredcites →https://doi.org/10.1021/j100088a009openalex-snapshot
Hardness, Chemical Potential, and Valency Profiles of Molecules under Internal Rotations
inferredcites →https://doi.org/10.1021/j100119a025openalex-snapshot
Principle of maximum hardness: an accurate ab initio study
inferredcites →https://doi.org/10.1021/j100187a020openalex-snapshot
Support for a principle of maximum hardness
inferredcites →https://doi.org/10.1021/j100259a025openalex-snapshot
A study of electronegativity equalization
inferredcites →https://doi.org/10.1021/j100271a019openalex-snapshot
Molecular softness as the average of atomic softnesses: companion principle to the geometric mean principle for electronegativity equalization
inferredcites →https://doi.org/10.1021/j100402a017openalex-snapshot
Crystallization of zeolite A: a spectroscopic study
inferredcites →https://doi.org/10.1021/j100408a076openalex-snapshot
Geometric mean principle for hardness eualization: a corollary of Sanderson's geometric mean principle of electronegativity equalization
inferredcites →https://doi.org/10.1021/ja00015a028openalex-snapshot
Stereoselectivity of cyclization of substituted 5-hexen-1-yllithiums: regiospecific and highly stereoselective insertion of an unactivated alkene into a carbon-lithium bond
inferredcites →https://doi.org/10.1021/ja00171a007openalex-snapshot
Activation hardness: new index for describing the orientation of electrophilic aromatic substitution
inferredcites →https://doi.org/10.1021/ja00290a017openalex-snapshot
Electronegativity equalization: application and parametrization
inferredcites →https://doi.org/10.1021/ja00364a005openalex-snapshot
Absolute hardness: companion parameter to absolute electronegativity
inferredcites →https://doi.org/10.1021/ja01004a002openalex-snapshot
Chemical reactivity and the concept of charge- and frontier-controlled reactions
inferredcites →https://doi.org/10.1021/ja01062a001openalex-snapshot
A Semiempirical Treatment of Molecular Structures. I. Electronegativity and Atomic Terms
inferredcites →https://doi.org/10.1021/ja01123a067openalex-snapshot
Molecular Compounds and their Spectra. II
inferredcites →https://doi.org/10.1021/ja9924039openalex-snapshot
Variational Principles for Describing Chemical Reactions: The Fukui Function and Chemical Hardness Revisited
inferredcites →https://doi.org/10.1021/jp000288eopenalex-snapshot
Evaluation and Test of Pauling's Electronegativity Scale
inferredcites →https://doi.org/10.1021/jp961096fopenalex-snapshot
Popular Electronic Structure Principles in a Dynamical Context
inferredcites →https://doi.org/10.1039/b606877dopenalex-snapshot
The physical basis of the hard/soft acid/base principle
inferredcites →https://doi.org/10.1039/dt9910001541openalex-snapshot
Pearson′s chemical hardness, heterolytic dissociative version of Pauling′s bond-energy equation and a novel approach towards understanding Pearson′s hard–soft acid–base principle
inferredcites →https://doi.org/10.1063/1.1749731openalex-snapshot
Electronic Structures of Molecules XI. Electroaffinity, Molecular Orbitals and Dipole Moments
inferredcites →https://doi.org/10.1063/1.2918731openalex-snapshot
Local hardness equalization: Exploiting the ambiguity
inferredcites →https://doi.org/10.1063/1.3253146openalex-snapshot
Microwave Spectral Tables I. Diatomic Molecules
inferredcites →https://doi.org/10.1063/1.439950openalex-snapshot
Dipole moment functions of the hydrogen halides
inferredcites →https://doi.org/10.1063/1.461313openalex-snapshot
Radiative transition probalities for all vibrational levels in the X 1Σ+ state of HF
inferredcites →https://doi.org/10.1073/pnas.60.3.786openalex-snapshot
QUANTUM-THERMODYNAMIC DEFINITION OF ELECTRONEGATIVITY
inferredcites →https://doi.org/10.1073/pnas.97.16.8879openalex-snapshot
Information theory, atoms in molecules, and molecular similarity
inferredcites →https://doi.org/10.1080/00268979709482105openalex-snapshot
Force constants and chemical hardnesses
inferredcites →https://doi.org/10.1080/002689797170086openalex-snapshot
Force constants and chemical hardnesses
inferredcites →https://doi.org/10.1098/rspa.1951.0099openalex-snapshot
Critical Survey of the method of ionic-homopolar resonance
inferredcites →https://doi.org/10.1107/s010876818400238xopenalex-snapshot
Nonbonded potentials for azahydrocarbons: the importance of the Coulombic interaction
inferredcites →https://doi.org/10.1126/science.114.2973.670openalex-snapshot
An Interpretation of Bond Lengths and a Classification of Bonds
inferredcites →https://doi.org/10.1126/science.218.4574.747openalex-snapshot
Role of Frontier Orbitals in Chemical Reactions
inferredcites →https://doi.org/10.5281/zenodo.5839521openalex-snapshot
The scales and concept of electro negativity
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.4824770openalex-extracted
Surface Tailoring of Graphene Nanomaterials Via Silicon Codoping with Group 15 Sensors for Ochratoxin (Otx): Insight from a Computational Study
inferred← citeshttps://doi.org/10.1007/978-94-007-1733-6_13openalex-snapshot
Hardness Equalization in the Formation Poly Atomic Carbon Compounds
inferred← citeshttps://doi.org/10.1007/s00214-023-03048-yopenalex-snapshot
Perturbed reactivity descriptors in the two parabolas model of fractional electron number
inferred← citeshttps://doi.org/10.1007/s11224-026-02852-zopenalex-snapshot
Adsorption characteristics of silicon-based fullerenes and functionalized derivatives: a DFT for dissolved gases in transformer oil
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.02.006openalex-snapshot
The nucleophilicity equalization principle and new algorithms for the evaluation of molecular nucleophilicity
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114669openalex-snapshot
Structural modification of graphene material by silicon mono-doping and codoping with heteroatoms as sensors for methyl tert-butyl ether (MTBE) as a fuel additive: Insights from DFT
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2024.109713openalex-snapshot
Surface tailoring of Graphene via silicon co-doping with Group 15 Elements for the Detection of Ochratoxin (OTX): An Insilco Investigation
inferred← citeshttps://doi.org/10.1080/00268976.2024.2385599openalex-snapshot
Revealing the effects of pressure on periodic descriptors
inferred← citeshttps://doi.org/10.1140/epjd/e2012-20283-6openalex-snapshot
Correlating the site selectivity of protonation in some ambidentate molecules in terms of the dual descriptor
inferred← citeshttps://doi.org/10.2174/1874383801105010013openalex-snapshot
Spectroscopic Evaluation of the Atomic Size
inferred← citeshttps://doi.org/10.3390/ijms13022160openalex-snapshot
On the Electrophilic Character of Molecules Through Its Relation with Electronegativity and Chemical Hardness
inferred← citeshttps://doi.org/10.4018/978-1-4666-1607-3.ch003openalex-snapshot
Commonality in the Origin and the Manifestation in the Real World of Electronegativity and Hardness
inferred← citeshttps://doi.org/10.4018/978-1-4666-1607-3.ch005openalex-snapshot
DFT Correlation of the Site Selectivity of Donor–Acceptor Chemical Interaction
inferred← citeshttps://doi.org/10.4018/978-1-4666-1607-3.ch009openalex-snapshot
Probing the Reactive Center for Site Selective Protonation in a Molecule by the Local Density Functional Descriptors
inferred← citeshttps://doi.org/10.4018/978-1-4666-1607-3.ch010openalex-snapshot
On the Method of the Determination of the Global Hardness of Atoms and Molecules
inferred← citeshttps://doi.org/10.4018/978-1-4666-5125-8.ch030openalex-snapshot
Probing the Reactive Center for Site Selective Protonation in a Molecule by the Local Density Functional Descriptors
inferred← citeshttps://doi.org/10.4236/jqis.2011.12012openalex-snapshot
Modeling of the Chemico-Physical Process of Protonation of Molecules Entailing Some Quantum Chemical Descriptors
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