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patricio fuentealba
patricio fuentealba
profesor de fisica Uch
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A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds
P Fuentealba, H Preuss, H Stoll, L Von Szentpály
Chemical Physics Letters 89 (5), 418-422, 1982
10861982
A direct evaluation of regional Fukui functions in molecules
RR Contreras, P Fuentealba, M Galván, P Pérez
Chemical Physics Letters 304 (5-6), 405-413, 1999
5181999
On the condensed Fukui function
P Fuentealba, P Pérez, R Contreras
The Journal of Chemical Physics 113 (7), 2544-2551, 2000
4442000
Variation of the electrophilicity index along the reaction path
E Chamorro, PK Chattaraj, P Fuentealba
The Journal of Physical Chemistry A 107 (36), 7068-7072, 2003
3192003
Pseudopotential calculations on Rb+ 2, Cs+ 2, RbH+, CsH+ and the mixed alkali dimer ions
L von Szentpály, P Fuentealba, H Preuss, H Stoll
Chemical Physics Letters 93 (6), 555-559, 1982
3181982
Pseudopotential calculations for alkaline-earth atoms
P Fuentealba, L Von Szentpaly, H Preuss, H Stoll
Journal of Physics B: Atomic and Molecular Physics 18 (7), 1287, 1985
2971985
Sigma–pi separation of the electron localization function and aromaticity
JC Santos, W Tiznado, R Contreras, P Fuentealba
The Journal of chemical physics 120 (4), 1670-1673, 2004
2632004
Higher‐order derivatives in density‐functional theory, especially the hardness derivative∂ η/∂ N
P Fuentealba, RG Parr
The Journal of chemical physics 94 (8), 5559-5564, 1991
2261991
On the reliability of semi-empirical pseudopotentials: simulation of Hartree-Fock and Dirac-Fock results
P Fuentealba, H Stoll, L Von Szentpaly, P Schwerdtfeger, H Preuss
Journal of Physics B: Atomic and Molecular Physics 16 (11), L323, 1983
2251983
Chemical reactivity descriptors for ambiphilic reagents: dual descriptor, local hypersoftness, and electrostatic potential
C Cárdenas, N Rabi, PW Ayers, C Morell, P Jaramillo, P Fuentealba
The Journal of Physical Chemistry A 113 (30), 8660-8667, 2009
2152009
An aromaticity scale based on the topological analysis of the electron localization function including σ and π contributions
JC Santos, J Andres, A Aizman, P Fuentealba
Journal of chemical theory and computation 1 (1), 83-86, 2005
1932005
Understanding and using the electron localization function
P Fuentealba, E Chamorro, JC Santos
Theoretical and Computational Chemistry 19, 57-85, 2007
1882007
Definition of a nucleophilicity scale
P Jaramillo, P Perez, R Contreras, W Tiznado, P Fuentealba
The Journal of Physical Chemistry A 110 (26), 8181-8187, 2006
1642006
Ground‐state properties of alkali dimers XY (X, Y= Li to Cs)
G Igel‐Mann, U Wedig, P Fuentealba, H Stoll
The Journal of chemical physics 84 (9), 5007-5012, 1986
1641986
Condensation of frontier molecular orbital Fukui functions
FA Bulat, E Chamorro, P Fuentealba, A Toro-Labbe
The Journal of Physical Chemistry A 108 (2), 342-349, 2004
1632004
Validity of the minimum polarizability principle in molecular vibrations and internal rotations: An ab initio SCF study
PK Chattaraj, P Fuentealba, P Jaque, A Toro-Labbé
The Journal of Physical Chemistry A 103 (46), 9307-9312, 1999
1491999
Cu and Ag as one‐valence‐electron atoms: CI results and quadrupole corrections for Cu2, Ag2, CuH, and AgH
H Stoll, P Fuentealba, P Schwerdtfeger, J Flad, L Szentpály, H Preuss
The Journal of chemical physics 81 (6), 2732-2736, 1984
1471984
Cu and Ag as one‐valence‐electron atoms: Pseudopotential results for Cu2, Ag2, CuH, AgH, and the corresponding cations
H Stoll, P Fuentealba, M Dolg, J Flad, L Szentpály, H Preuss
The Journal of chemical physics 79 (11), 5532-5542, 1983
1361983
Topological analysis of the Fukui function
P Fuentealba, E Florez, W Tiznado
Journal of chemical theory and computation 6 (5), 1470-1478, 2010
1282010
Woodward− hoffmann rule in the light of the principles of maximum hardness and minimum polarizability: DFT and Ab initio SCF studies
PK Chattaraj, P Fuentealba, B Gómez, R Contreras
Journal of the American Chemical Society 122 (2), 348-351, 2000
1202000
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