Detalhe da pesquisa
1.
New aspects of quantum electrodynamics on electronic structure and dynamics.
J Comput Chem
; 40(2): 316-327, 2019 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30299560
2.
Theoretical study of lithium ionic conductors by electronic stress tensor density and electronic kinetic energy density.
J Comput Chem
; 37(20): 1924-34, 2016 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27232445
3.
Electronic stress tensor analysis of molecules in gas phase of CVD process for GeSbTe alloy.
J Comput Chem
; 36(16): 1240-51, 2015 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-25906966
4.
On reversible bonding of hydrogen molecules on platinum clusters.
J Chem Phys
; 130(8): 084111, 2009 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-19256601
5.
Physical nature of intermolecular interactions within cAMP-dependent protein kinase active site: differential transition state stabilization in phosphoryl transfer reaction.
J Phys Chem B
; 112(37): 11819-26, 2008 Sep 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-18720966
6.
Electronic stress tensor description of chemical bonds using nonclassical bond order concept.
J Chem Phys
; 129(9): 094102, 2008 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-19044860
7.
Quantum simulation of nanosized materials: 100 years of mystery is solved.
J Mol Model
; 24(9): 257, 2018 Aug 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-30159609
8.
Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2-9).
Phys Chem Chem Phys
; 10(35): 5445-51, 2008 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-18766242
9.
Use of nuclear stiffness in search for a maximum hardness principle and for the softest states along the chemical reaction path: a new formula for the energy third derivative gamma.
J Chem Phys
; 126(23): 234115, 2007 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-17600412
10.
The field theoretical study of chemical interaction in terms of the Rigged QED: new reactivity indices.
J Mol Model
; 13(6-7): 651-63, 2007 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-17534673
11.
A new visualization scheme of chemical energy density and bonds in molecules.
J Mol Model
; 11(4-5): 301-11, 2005 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-15889293
12.
Nuclear reactivity indices within regional density functional theory.
J Mol Model
; 11(4-5): 312-6, 2005 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-16047174