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Novel point charge models: reliable instruments formolecular electrostatic
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/anie.199601501openalex-snapshot
Electronegativity and Molecular Properties
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Approaches to charge calculations in molecular mechanics
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Atomic charges derived from electrostatic potentials: A detailed study
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Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
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Comparison of atomic charges derived via different procedures
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Quantum mechanical computations on very large molecular systems: The local self‐consistent field method
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Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins
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Prediction of proton magnetic resonance shifts: The dependence on hydrogen charges obtained by iterative partial equalization of orbital electronegativity
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Influence of madelung (interatomic Coulomb) energy on Wolfsberg–Helmholz calculations
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Maximum overlap hybridization in cyclopropane and some related molecules
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Orbital electronegativities and the determination of s and d hybridization in various halides from nuclear quadrupole resonance frequencies
inferredcites →https://doi.org/10.1007/bf00528480openalex-snapshot
Maximum overlap hybridization in cyclobutane, bicyclobutane and related highly strained systems
inferredcites →https://doi.org/10.1007/bf01172931openalex-snapshot
Topological atomic indices and the electronic charges in alkanes
inferredcites →https://doi.org/10.1007/bfb0029840openalex-snapshot
Electronegativity and charge distribution
inferredcites →https://doi.org/10.1007/s002140050295openalex-snapshot
The Role of Electrostatics in Chemistry
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Linear graphs and electrical networks
inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/0092-640x(84)90011-1openalex-snapshot
Core-electron binding energies for gaseous atoms and molecules
inferredcites →https://doi.org/10.1016/0166-1280(85)85100-9openalex-snapshot
Graph theory and theoretical chemistry
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Lecture notes in chemistry
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
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Electronegativity and hardness in the chemical approximation
inferredcites →https://doi.org/10.1016/0306-4549(89)90016-9openalex-snapshot
Density-functional theory of atoms and molecules
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Residual charges on atoms in organic structures: A new algorithm for their calculation
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THE VSEPR MODEL OF MOLECULAR GEOMETRY
inferredcites →https://doi.org/10.1016/s0040-4020(01)91901-5openalex-snapshot
Extension of the method of iterative partial equalization of orbital electronegativity to small ring systems
inferredcites →https://doi.org/10.1016/s0040-4039(00)81976-0openalex-snapshot
Residual electronegativity - an empirical quantification of polar influences and its application to the proton affinity of amines
inferredcites →https://doi.org/10.1016/s0092-640x(74)80016-1openalex-snapshot
Roothaan-Hartree-Fock atomic wavefunctions
inferredcites →https://doi.org/10.1021/ar00020a008openalex-snapshot
The covalent potential: a simple and useful measure of the valence-state electronegativity for correlating molecular energetics
inferredcites →https://doi.org/10.1021/ci00019a008openalex-snapshot
Charge Indexes. New Topological Descriptors
inferredcites →https://doi.org/10.1021/ci00032a004openalex-snapshot
Graph potentials method and its application for chemical information processing
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An Algorithm for the Perception of Synthetically Important Rings
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Correlation and Prediction of the Refractive Indices of Polymers by QSPR
inferredcites →https://doi.org/10.1021/ci980114iopenalex-snapshot
Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds
inferredcites →https://doi.org/10.1021/ic50141a028openalex-snapshot
Calculation of atomic charges by an electronegativity equalization procedure
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/j100789a004openalex-snapshot
Chemical Binding in Homonuclear Diatomic Molecules1
inferredcites →https://doi.org/10.1021/j150495a002openalex-snapshot
Magic Formula, Structure of Bond Energies and Isovalent Hybridization
inferredcites →https://doi.org/10.1021/ja00204a001openalex-snapshot
A new population analysis based on atomic polar tensors
inferredcites →https://doi.org/10.1021/ja00267a063openalex-snapshot
A scale of directional substituent polarizability parameters from ab initio calculations of polarizability potentials
inferredcites →https://doi.org/10.1021/ja00268a010openalex-snapshot
A simple method for calculating atomic charge in molecules
inferredcites →https://doi.org/10.1021/ja00275a010openalex-snapshot
Topologically determined charge distributions and the chemistry of some cage-type structures related to adamantane
inferredcites →https://doi.org/10.1021/ja00275a013openalex-snapshot
Electronegativity-equalization method for the calculation of atomic charges in molecules
inferredcites →https://doi.org/10.1021/ja00290a017openalex-snapshot
Electronegativity equalization: application and parametrization
inferredcites →https://doi.org/10.1021/ja00316a020openalex-snapshot
Electrostatic effects in interactions between hard (soft) acids and bases
inferredcites →https://doi.org/10.1021/ja00346a026openalex-snapshot
Electronegativity and bond energy
inferredcites →https://doi.org/10.1021/ja00863a008openalex-snapshot
Electronegativity. I. Orbital Electronegativity of Neutral Atoms
inferredcites →https://doi.org/10.1021/ja00885a008openalex-snapshot
Electronegativity. II. Bond and Orbital Electronegativities
inferredcites →https://doi.org/10.1021/ja01149a101openalex-snapshot
The Inductive Effect and Chemical Reactivity. I. General Theory of the Inductive Effect and Application to Electric Dipole Moments of Haloalkanes
inferredcites →https://doi.org/10.1021/jp960669lopenalex-snapshot
Density Functional Theory of Electronic Structure
inferredcites →https://doi.org/10.1021/jp972682ropenalex-snapshot
New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions
inferredcites →https://doi.org/10.1021/jp983918+openalex-snapshot
Valence States in Molecules. 3. Transferable Vibrational Force Constants from Homonuclear Data
inferredcites →https://doi.org/10.1039/jr9580004031openalex-snapshot
812. A simple MO–LCAO method for the calculation of charge distributions in saturated organic molecules
inferredcites →https://doi.org/10.1063/1.1675638openalex-snapshot
Comparison of Two Atomic Charge Definitions, as Applied to the Hydrogen Fluoride Molecule
inferredcites →https://doi.org/10.1063/1.1677887openalex-snapshot
Infrared Intensity Sum Rule and Effective Charges
inferredcites →https://doi.org/10.1063/1.1698901openalex-snapshot
Approximate Formulas for Many-Center Integrals in the Theory of Molecules and Crystals
inferredcites →https://doi.org/10.1063/1.1711841openalex-snapshot
Approximate Self-Consistent Molecular Orbital Theory. IV. Calculations on Molecules Including the Elements Sodium through Chlorine
inferredcites →https://doi.org/10.1063/1.1729987openalex-snapshot
Empirical Expression for Ionic Character and the Determination of s Hybridization from Nuclear Quadrupole Coupling Constants
inferredcites →https://doi.org/10.1063/1.1740588openalex-snapshot
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
inferredcites →https://doi.org/10.1088/0034-4885/6/1/312openalex-snapshot
The theory of molecular structure
inferredcites →https://doi.org/10.1093/oso/9780198551683.001.0001openalex-snapshot
Atoms in Molecules
inferredcites →https://doi.org/10.62906/bs.book.181openalex-snapshot
Inorganic Chemistry: Principles of Structure and Reactivity
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/jcc.20892openalex-snapshot
Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system
inferred← citeshttps://doi.org/10.1002/minf.201000141openalex-snapshot
General Purpose Electronegativity Relaxation Charge Models Applied to CoMFA and CoMSIA Study of GSK‐3 Inhibitors
inferred← citeshttps://doi.org/10.1002/minf.201400195openalex-snapshot
Perspectives of Halogen Bonding Description in Scoring Functions and QSAR/QSPR: Substituent Effects in Aromatic Core
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inferred← citeshttps://doi.org/10.1007/s00214-004-0624-xopenalex-snapshot
Accurate partial atomic charges for high-energy molecules using class IV charge models with the MIDI! basis set
inferred← citeshttps://doi.org/10.1007/s11172-025-4684-5openalex-snapshot
Empirical charge model taking into account the inductive effect to describe electrostatic interactions in compounds relevant to medicinal chemistry: assessment of applicability
inferred← citeshttps://doi.org/10.1016/s0065-3276(06)51004-4openalex-snapshot
Atomic Charges via Electronegativity Equalization: Generalizations and Perspectives
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00848openalex-snapshot
Iterative Solvers for Empirical Partial Atomic Charges: Breaking the Curse of Cubic Numerical Complexity
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c00683openalex-snapshot
Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c02722openalex-snapshot
Is an Inductive Effect Explicit Account Required for Atomic Charges Aimed at Use within the Force Fields?
inferred← citeshttps://doi.org/10.1021/ci0342932openalex-snapshot
Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds
inferred← citeshttps://doi.org/10.1021/jp4086624openalex-snapshot
Substitutional Photoluminescence Modulation in Adducts of a Europium Chelate with a Range of Alkali Metal Cations: A Gas-Phase Study
inferred← citeshttps://doi.org/10.1039/9781847558879-00150openalex-snapshot
Molecular Field Topology Analysis in Drug Design and Virtual Screening
inferred← citeshttps://doi.org/10.1063/1.3021400openalex-snapshot
A unified theoretical framework for fluctuating-charge models in atom-space and in bond-space
inferred← citeshttps://doi.org/10.1080/10629360290002785openalex-snapshot
A new scheme for electronegativity equalization as a source of electronic descriptors: Application to chemical reactivity
inferred← citeshttps://doi.org/10.1080/10629360701844142openalex-snapshot
Fast tools for calculation of atomic charges well suited for drug design
inferred← citeshttps://doi.org/10.1093/nar/gkaa367openalex-snapshot
Atomic Charge Calculator II: web-based tool for the calculation of partial atomic charges
inferred← citeshttps://doi.org/10.1134/s0012500806050065openalex-snapshot
Modeling of atomic RESP charges with the use of topological calculation schemes
inferred← citeshttps://doi.org/10.1134/s001250080803004xopenalex-snapshot
Parameterization of empirical schemes of partial atomic charge calculation for reproducing the molecular electrostatic potential
inferred← citeshttps://doi.org/10.1134/s2079059712060068openalex-snapshot
A study of the thermal stability of mutant barnase protein variants with MOLKERN software
inferred← citeshttps://doi.org/10.7124/bc.000828openalex-snapshot
Rational design of protein kinase inhibitors
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