Research graph
References from Electron density structural torsion. Local targets link to admitted publications; unresolved targets remain external evidence.
Inhomogeneous electron gas
10.1103/physrev.136.b864 · 1964 · External reference
Self-consistent equations including exchange and correlation effects
10.1103/physrev.140.a1133 · 1965 · External reference
Density-functional exchange-energy approximation with correct asymptotic behavior
10.1103/physreva.38.3098 · 1988 · External reference
Density-functional thermochemistry. I. The effect of the exchange-only gradient correction
10.1063/1.462066 · 1992 · External reference
Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction
10.1063/1.463343 · 1992 · External reference
Density-functional thermochemistry. III. The role of exact exchange
10.1063/1.464913 · 1993 · External reference
Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing
10.1063/1.470829 · 1996 · External reference
Perspective: Fifty years of density-functional theory in chemical physics
10.1063/1.4869598 · 2014 · External reference
Unresolved reference
1990 · External reference
Definition of molecular structure: By choice or by appeal to observation?
10.1021/jp102748b · 2010 · External reference
A bond path: A universal indicator of bonded interactions
10.1021/jp981794v · 1998 · External reference
Spatial localization of the electronic pair and number distributions in molecules
10.1021/ja00859a001 · 1975 · External reference
Atoms in molecules as non-overlapping, bounded, space-filling open quantum systems
10.1007/s10698-012-9153-1 · 2013 · External reference
A simple measure of electron localization in atomic and molecular systems
10.1063/1.458517 · 1990 · External reference
Classification of chemical bonds based on topological analysis of electron localization functions
10.1038/371683a0 · 1994 · External reference
La liaison chimique: Mythe ou réalité? Les méthodes topologiques de description de la liaison
2001 · External reference
The topological analysis of the electron localization function: A key for a position-space representation of chemical bonds
10.1007/s00706-005-0297-8 · 2005 · External reference
Revealing noncovalent interactions
10.1021/ja100936w · 2010 · External reference
Unresolved reference
2023 · External reference
NCIPLOT: A program for plotting noncovalent interaction regions
10.1021/ct100641a · 2011 · External reference
NCIPLOT and the analysis of noncovalent interactions using the reduced density gradient
10.1002/wcms.1497 · 2021 · External reference
The virial partitioning method,” in The Jerusalem Symposia on Quantum Chemistry and Biochem
1974 · External reference
A Green’s function for the density
10.1016/s0009-2614(97)01457-7 · 1998 · External reference
Chemical information from the source function
10.1002/jcc.10205 · 2003 · External reference
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions
10.1107/s0108767304017258 · 2004 · External reference
Solid-state applications of QTAIM and the source function: Molecular crystals, surfaces, host–guest systems, and molecular complexes
10.1002/9783527610709 · 2007 · External reference
The source function descriptor as a tool to extract chemical information from theoretical and experimental electron densities
2012 · External reference
An electron-density source-function study of DNA base pairs in their neutral and ionized ground states
10.1002/jcc.25222 · 2018 · External reference
Unresolved reference
1972 · External reference
Unresolved reference
2013 · External reference
Unresolved reference
2005 · External reference
Unresolved reference
1959 · External reference
The Ehrenfest force field: Topology and consequences for the definition of an atom in a molecule
10.1063/1.4755326 · 2012 · External reference
The topology of the Ehrenfest force density revisited: A different perspective based on Slater-type orbitals
10.1002/jcc.23869 · 2015 · External reference
A dynamical density field that shows the localizability of electrons: The exchange-correlation Ehrenfest force
10.1021/acs.jctc.4c00890 · 2024 · External reference
Exchange energies with forces in density-functional theory
10.1063/5.0177346 · 2024 · External reference
Topological analysis of valence-electron charge distributions from semiempirical and ab initio methods
10.1002/qua.560520822 · 1994 · External reference
Molecular similarity based on information entropies and distances
10.1063/1.476316 · 1998 · External reference
An information-entropic study of correlated densities of the water molecule
10.1063/1.477761 · 1998 · External reference
The He isoelectronic series and the Hooke’s-law model: Correlation measures and modifications of Collins’ conjecture
10.1063/1.478560 · 1999 · External reference
Shannon information entropies of molecules and functional groups in the self-consistent reaction field
10.1063/1.481366 · 2000 · External reference
Can one take the logarithm or the sine of a dimensioned quantity or a unit? Dimensional analysis involving transcendental functions
10.1021/ed1000476 · 2011 · External reference
Information-theoretic properties from the quantum theory of atoms in molecules
10.1016/j.cplett.2011.08.072 · 2011 · External reference
Unresolved reference
2006 · External reference
Unresolved reference
2010 · External reference
Binding entropy and its application to solids
10.1021/jp904836j · 2009 · External reference
Unresolved reference
2004 · External reference
Unresolved reference
1963 · External reference
Unresolved reference
1957 · External reference
On the relationship between densities of Shannon entropy and Fisher information for atoms and molecules
10.1063/1.2741244 · 2007 · External reference
Unresolved reference
1998 · External reference
On the mathematical foundations of theoretical statistics
10.1098/rsta.1922.0009 · 1922 · External reference
The analysis of electron densities: From basics to emergent applications
10.1021/acs.chemrev.4c00297 · 2024 · External reference
Unresolved reference
2024 · External reference
Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential
10.1002/jcc.23608 · 2014 · External reference
Unresolved reference
2023 · External reference
A vector-based representation of the chemical bond for the normal modes of benzene
10.1002/qua.25698 · 2018 · External reference
Next-generation quantum theory of atoms in molecules for the ground and excited states of fulvene
10.1002/qua.25768 · 2018 · External reference
Covalent, ionic and resonating single bonds
10.1016/0166-1280(91)90144-9 · 1991 · External reference
Charge-shift bonding—A class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach
10.1002/chem.200500265 · 2005 · External reference
Charge-shift bonding: A new and unique form of bonding
10.1002/anie.201910085 · 2020 · External reference
Bonding and antibonding characters of the first-order reduced density matrix: A new look at two charge-shift bonds
10.1063/5.0126072 · 2023 · External reference
Theoretical analysis of hydrocarbon properties. 1. Bonds, structures, charge concentrations, and charge relaxations
10.1021/ja00238a004 · 1987 · External reference
Molpro: A general-purpose quantum chemistry program package
10.1002/wcms.82 · 2012 · External reference
Charge density topological study of bonding in lithium clusters. Part I: Planar Li clusters (n = 4, 5, 6)
10.1007/bf01192234 · 1987 · External reference
On the presence of non-nuclear attractors in the charge distributions of Li and Na clusters
10.1016/0009-2614(87)85044-3 · 1987 · External reference
Nonnuclear attractors in the lithium dimeric molecule
10.1021/j100377a015 · 1990 · External reference
A molecular catastrophe
10.1038/346796a0 · 1990 · External reference
Non-nuclear maxima of the electron density
10.1103/physrevlett.83.1930 · 1999 · External reference
On the existence of non-nuclear maxima in simple metals
10.1063/1.1510117 · 2002 · External reference
Non-nuclear maxima of the electron density on alkaline metals
10.1063/1.1600433 · 2003 · External reference
Non-nuclear attractor of electron density as a manifestation of the solvated electron
10.1063/1.2747250 · 2007 · External reference
The hydrated electron as a pseudo-atom in cavity-bound water clusters
10.1021/ct600334w · 2007 · External reference
Nonnuclear attractors in heteronuclear diatomic systems
10.1021/acs.jpca.5b10888 · 2016 · External reference
Non-nuclear attractors in small charged lithium clusters, Limq (m = 2–5, q = ±1), with QTAIM and the Ehrenfest force partitioning
10.1039/c8cp05214j · 2018 · External reference
Non-Nuclear maxima and the universality of Bright Wilson’s justification of the first Hohenberg–Kohn theorem revisited
10.1016/j.cplett.2021.138940 · 2021 · External reference
Non-nuclear maxima in the molecular electron density
10.1016/b978-0-323-90891-7.00013-x · 2023 · External reference
