# SEARCH

** Ab initio calculations atomic charge densities **

** Ab initio calculations partial atomic charges for molecular mechanics force-fields **

** Allyl system atomic charge of cation **

** Amines Charges of the Carbon Atoms **

** Amines atomic charges of carbon **

** Amines atomic charges of nitrogen **

** Analytical gradients Atomic charges **

** Anion exchange atomic partial charge **

** Aromatic hydrocarbons atomic charges **

** Aromaticity bond orbital atomic charges **

** Atom The smallest particle of an element that electrical charges **

** Atom and charged dimer formation **

** Atom-in-molecule partial) charge **

** Atomic Charges and the Hybridization Model **

** Atomic Charges, Bond Properties, and Molecular Energies, by Sandor Fliszar **

** Atomic DFT simple charged systems **

** Atomic charge difference parameter **

** Atomic charge distribution for the **

** Atomic charge physical quantity **

** Atomic charges Hilbert space partitioning **

** Atomic charges Mulliken-type analysis **

** Atomic charges and charge flux **

** Atomic charges and inductive effects **

** Atomic charges and ionization potentials **

** Atomic charges carbonyl halides **

** Atomic charges effect of correlation **

** Atomic charges electrostatic potential fitted (ESP **

** Atomic charges for hypervalent molecules **

** Atomic charges from different models **

** Atomic charges hybridization model and **

** Atomic charges in nucleophilic substitution **

** Atomic charges molecular mechanics schemes **

** Atomic charges quantum mechanical theory **

** Atomic charges use in molecular dynamics **

** Atomic charges, computational procedures **

** Atomic charges, dielectric constant **

** Atomic charges, dielectric constant electrostatic energies **

** Atomic complexities singly charged ions **

** Atomic complexities singly charged ions and neutral atoms **

** Atomic orbitals charge density and **

** Atomic orbitals point charge distributions for pairs **

** Atomic partial charges acid interaction **

** Atomic partial charges calculation **

** Atomic partial charges interaction **

** Atomic pressure charge transfer and stability **

** Atomic properties partial charges **

** Atomic properties relation to charge distribution **

** Atomic radius/radii effective nuclear charge and **

** Atomic species electrical charge **

** Atomization charge-to-mass ratio **

** Atoms and Bonds as Electron Charge Density **

** Atoms and the Charge Distribution **

** Atoms effective nuclear charge and **

** Atoms in Molecules Charges and Bond Orders **

** Atoms in molecules point charges **

** Benzyl carbanion, atomic charge **

** Carbanion atomic charge distribution for the **

** Carbon atom with formal charge **

** Carbonyl compounds atomic charges **

** Charge densities at the terminal carbon atoms **

** Charge densities atoms for Lif **

** Charge density and atoms in molecules theory **

** Charge density atom-centered expansion **

** Charge distribution, from method m atoms **

** Charge excesses for atoms in molecule **

** Charge net atomic reproducing the electrostatic **

** Charge transfer atomic systems **

** Charge transfer on an atomic scale **

** Charge, atomic Gasteiger-Marsili **

** Charge-to-mass ratio atomization and **

** Charges for carbon atoms of substituted **

** Charges on atoms, determination **

** Cluster compounds atomic charge **

** Correlation, effects atomic charges **

** Density functional perturbation theory atomic charge **

** Dielectric boundary and constant atomic charges, electrostatic **

** Dipole Refers to the separation of charge between two covalently bonded atoms **

** Dissociation constant atomic partial charge **

** ESP fitted atomic partial charges **

** Effective Charges of Atoms and Chemical Behavior **

** Effective Positive Charge on the at-Carbon Atom **

** Effective atomic number nuclear charge **

** Effective charges of atoms in crystals **

** Effective charges of atoms in molecules **

** Effective nuclear charge Of a two-electron atom **

** Effective nuclear charge atomic radius and **

** Electric charge, atomic structure **

** Electric properties atomic charges **

** Electrical charges electrically neutral atoms **

** Electron A negatively charged particle that an atom **

** Electronic charge distribution atom dipole model for **

** Electronic charges atoms of naturally occurring amino **

** Electronic distribution atomic natural charges **

** Equalization of Electronegativities and Atomic Charges **

** Exercise 8.4 Atomic Charge Analysis **

** External Heavy-Atom Effects and Charge Transfer **

** Factor 1—What Atom Is the Charge on **

** Fast atom bombardment secondary ion charge neutralization **

** Formal charge arrangement of atoms **

** Formal charge common atoms and ions **

** Formal charges of even-electron atoms **

** Formal charges of odd-electron atoms **

** Fukui Functions and Atomic Charges **

** Generalized atomic polar tensor charges **

** Graphitized carbon atomic partial charge **

** Heavy-atom effect and charge transfer **

** Hybridization of atom bearing negative charge **

** Hybridized atomic orbitals stability of negative charge **

** Hydrogen atom, charge cloud model **

** Hypervalent molecules atomic charges **

** INDUCTIVE EFFECTS ATOMIC CHARGES **

** Ion An atom or a group of atoms that has charges **

** Ion-metal atom charge transfer cross sections **

** Ionicity, degree charges of atoms **

** Local Density of States and Atomic Charges **

** Lone pairs of negatively charged carbon atoms **

** Metal atom, effective charge on central **

** Molecular descriptors atomic partial charges **

** Mulliken atomic charges for anions **

** Mulliken atomic charges for cations **

** Mulliken atomic partial charges **

** Natural Atomic Orbital-Point Charge **

** Natural Atomic Orbital-Point Charge NAO-PC) **

** Natural charging atomization process **

** Negative charge and atomic size **

** Negative charge electronegativity of atom bearing **

** Negative charge size of atom bearing **

** Net Charges of Transition Metal Atoms **

** Net atomic charges From Atoms in Molecules analysis **

** Net atomic charges From electric dipole moments **

** Net atomic charges atom-centered distributed **

** Net atomic charges charge partitioning **

** Net atomic charges effective bond orders **

** Net atomic charges electrostatic potential **

** Net atomic charges force-fields used **

** Net atomic charges magnetism example **

** Net atomic charges reproducing the electrostatic potential **

** Net atomic charges surrounding **

** Net charge of atoms estimation **

** Net charge of atoms for transition metals **

** Neutrons A particle in the atomic nucleus mass and charge **

** Nitrogen atom with formal charge **

** Non-atom-centered partial charges **

** Nuclear charge, atomic radius and **

** Nuclear magnetic resonance and atomic charges **

** Nucleus The small, dense center of positive charge in an atom **

** Oxygen atom charge stability for **

** Oxygen atom with formal charge **

** Periodic Trends in the Size of Atoms and Effective Nuclear Charge **

** Point charge distributions for pairs of atomic orbitals **

** Polar Bond, Effective Charges of Atoms **

** Population analysis Hirshfeld atomic charges **

** Potential derived atomic charges **

** Production of Rydberg atoms charge exchange **

** Proton A positively charged particle atomic nucleus **

** Proton A positively charged particle atomic structure and **

** Protons Positively charged particles that reside in the nucleus of an atom **

** Quantitative structure-property atomic partial charges **

** Quantumchemical calculation, update charges on atoms **

** Radial charge density, in H atom **

** Resonance structures and charges on atoms **

** Results for Potential-Derived Net Atomic Charges **

** Selected Reference Net Atomic Charges **

** Skeletal structures with charged carbon atoms **

** The Analysis of Electron Density Distributions and Atomic Charges **

** The Molecular Electrostatic Potential and Atomic Charges **

** The Pluses and Minuses of Mapping Atomic Charges to Electrostatic Potentials **

** The estimation of net atomic charges from calculated electron densities **

** The resonance charge exchange in ion-atom collisions **

** Transition metal atoms net charges **