화학공학소재연구정보센터
검색결과 : 22건
No. Article
1 Bond Order Densities in Real Space
Casals-Sainz JL, Fernandez-Alarcon A, Francisco E, Costales A, Pendas AM
Journal of Physical Chemistry A, 124(2), 339, 2020
2 Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools
Casals-Sainz JL, Jimenez-Gravalos F, Costales A, Francisco E, Pendas AM
Journal of Physical Chemistry A, 122(3), 849, 2018
3 An Interacting Quantum Atoms Analysis of the Metal-Metal Bond in [M-2(CO)(8)](n) Systems
Tiana D, Francisco E, Macchi P, Sironi A, Pendas AM
Journal of Physical Chemistry A, 119(10), 2153, 2015
4 Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules
Garcia-Revilla M, Francisco E, Costales A, Pendas AM
Journal of Physical Chemistry A, 116(4), 1237, 2012
5 Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules (vol, 116, pg 237, 2012)
Garcia-Revilla M, Francisco E, Costales A, Pendas AM
Journal of Physical Chemistry A, 116(36), 9216, 2012
6 Using Pseudopotentials within the Interacting Quantum Atoms Approach
Tiana D, Francisco E, Blanco MA, Pendas AM
Journal of Physical Chemistry A, 113(27), 7963, 2009
7 Electron-electron interactions between ELF basins
Pendas AM, Francisco E, Blanco MA
Chemical Physics Letters, 454(4-6), 396, 2008
8 Spatial localization, correlation, and statistical dependence of electrons in atomic domains: The X-1 Sigma(+)(g) and b(3)Sigma(+)(u) states of H-2
Pendas AM, Francisco E, Blanco MA
Chemical Physics Letters, 437(4-6), 287, 2007
9 Pauling resonant structures in real space through electron number probability distributions
Pendas AM, Francisco E, Blanco MA
Journal of Physical Chemistry A, 111(6), 1084, 2007
10 Comparison of direct and flow integration based charge density population analyses
Francisco E, Pendas AM, Blanco MA, Costales A
Journal of Physical Chemistry A, 111(48), 12146, 2007