patricio fuentealba
patricio fuentealba
profesor de fisica Uch
Bestätigte E-Mail-Adresse bei u.uchile.cl
Titel
Zitiert von
Zitiert von
Jahr
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
8861982
Current developments in fluorescent PET (photoinduced electron transfer) sensors and switches
B Daly, J Ling, AP De Silva
Chemical Society Reviews 44 (13), 4203-4211, 2015
540*2015
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
4321999
On the condensed Fukui function
P Fuentealba, P Pérez, R Contreras
The Journal of Chemical Physics 113 (7), 2544-2551, 2000
3382000
Chemical reactivity theory: a density functional view
PK Chattaraj
CRC press, 2009
2912009
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
2491982
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
2231985
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
2152003
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
1992004
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
1911991
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
1701983
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
1562009
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
1492005
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
1431986
v. Szentpaly, L.; Preuss, H
H Stoll, P Fuentealba, P Schwerdtfeger, J Flad
J. Chem. Phys 81, 2732, 1984
1411984
Definition of a nucleophilicity scale
P Jaramillo, P Pérez, R Contreras, W Tiznado, P Fuentealba
The Journal of Physical Chemistry A 110 (26), 8181-8187, 2006
1292006
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
1291999
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 Szentpaly, H Preuss
The Journal of chemical physics 81 (6), 2732-2736, 1984
1171984
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 Gomez, R Contreras
Journal of the American Chemical Society 122 (2), 348-351, 2000
1062000
Empirical energy− density relationships for the analysis of substituent effects in chemical reactivity
P Pérez, Y Simon-Manso, A Aizman, P Fuentealba, R Contreras
Journal of the American Chemical Society 122 (19), 4756-4762, 2000
982000
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