Hirshfeld partitioning of the electron density: Atomic dipoles and their relation with functional group properties.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 463, doi. 10.1002/jcc.10241
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2003 AND VI 24 AND IP 4
Results: 13
1
2
Chemical information from the source function.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 422, doi. 10.1002/jcc.10205
- By:
- Publication type:
- Article
3
Electrostatic potentials and covalent radii.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 505, doi. 10.1002/jcc.10209
- By:
- Publication type:
- Article
4
Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 470, doi. 10.1002/jcc.10238
- By:
- Publication type:
- Article
5
Transferable atom equivalent multicentered multipole expansion method.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 512, doi. 10.1002/jcc.10240
- By:
- Publication type:
- Article
6
Electron probability distribution in AIM and ELF basins.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 496, doi. 10.1002/jcc.10242
- By:
- Publication type:
- Article
7
Foreword.
- Published in:
- 2003
- By:
- Publication type:
- Other
8
Comparison of electron density properties in frozen and relaxed electronic distributions.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 416, doi. 10.1002/jcc.10204
- By:
- Publication type:
- Article
9
Application of the quantum theory of atoms in molecules to selected physico-chemical and biophysical problems: Focus on correlation with experiment.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 453, doi. 10.1002/jcc.10208
- By:
- Publication type:
- Article
10
An improved algorithm to locate critical points in a 3D scalar field as implemented in the program MORPHY.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 437, doi. 10.1002/jcc.10203
- By:
- Publication type:
- Article
11
Rational determination of charge distributions for free energy calculations.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 409, doi. 10.1002/jcc.10207
- By:
- Publication type:
- Article
12
Ab initio quality one-electron properties of large molecules: Development and testing of molecular tailoring approach.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 484, doi. 10.1002/jcc.10206
- By:
- Publication type:
- Article
13
Ab initio determination of the electric multipole moments and static (hyper)polarizability of HCCX, X = F, Cl, Br, and I.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 443, doi. 10.1002/jcc.10239
- By:
- Publication type:
- Article