E-LIB Suche - Ergebnisse für: Torre, Alicia

1

A variance-based optimization for determining ground and ex..:

Alcoba, Diego R. ; Oña, Ofelia B. ; Torre, Alicia...
The Journal of Chemical Physics. 160 (2024) 16 - p. , 2024

Link: https://doi.org/10.1063/..

2

DOCSIC: A Mean-Field Method for Orbital-by-Orbital Self-Int..:

Peralta, Juan E. ; Barone, Veronica ; Melo, Juan I....
The Journal of Physical Chemistry A. , 2024

Link: https://doi.org/10.1021/..

3

A quantum-chemical study of boro-fullerenes B60H60, B60F30H..:

Oña, Ofelia B. ; Ferrer, Maxime ; Alcoba, Diego R....
Computational and Theoretical Chemistry. 1220 (2023) - p. 113987 , 2023

Link: https://doi.org/10.1016/..

4

Determination of electronic excitation energies within the ..:

Garros, Adán ; Alcoba, Diego R. ; Capuzzi, Pablo...
The Journal of Chemical Physics. 159 (2023) 12 - p. , 2023

Link: https://doi.org/10.1063/..

5

Attaining the maximum Bose-Einstein condensation in a finit..:

Rios, Elias ; Schneider, David ; Capuzzi, Pablo...
Journal of Physics A: Mathematical and Theoretical. , 2023

Link: https://doi.org/10.1088/..

6

Two Shared Icosahedral Metallacarboranes through Iron: A Jo..:

Marco, José F. ; Dávalos-Prado, Juan Z. ; Hnyk, Drahomír...
ACS Omega. 8 (2023) 15 - p. 13993-14004 , 2023

Link: https://doi.org/10.1021/..

7

Studies of molecular dissociation by means of restricted an..:

Garcia, Javier ; Oña, Ofelia B. ; Torre, Alicia...
International Journal of Quantum Chemistry. 123 (2023) 14 - p. , 2023

Link: https://doi.org/10.1002/..

8

Generalized spin σ-SCF method:

Oña, Ofelia B. ; Massaccesi, Gustavo E. ; Melo, Juan I....
The Journal of Chemical Physics. 159 (2023) 21 - p. , 2023

Link: https://doi.org/10.1063/..

9

Variational determination of the two-electron reduced densi..:

Ríos, Elías ; Alcoba, Diego R. ; Lain, Luis...
The Journal of Chemical Physics. 157 (2022) 1 - p. , 2022

Link: https://doi.org/10.1063/..

10

Influence of the N-representability conditions on the varia..:

Corvalan, Dario A. ; Oña, Ofelia B. ; Alcoba, Diego R....
The Journal of Chemical Physics. 157 (2022) 20 - p. , 2022

Link: https://doi.org/10.1063/..

11

Variational determination of ground and excited-state two-e..:

Alcoba, Diego R. ; Oña, Ofelia B. ; Lain, Luis...
The Journal of Chemical Physics. 154 (2021) 22 - p. , 2021

Link: https://doi.org/10.1063/..

12

Exploiting the nearsightedness principle within the framewo..:

Honoré, Eduardo M. ; Ríos, Elías ; Alcoba, Diego R....
International Journal of Quantum Chemistry. 122 (2021) 6 - p. , 2021

Link: https://doi.org/10.1002/..

13

Symmetry-adapted formulation of the hybrid treatment result..:

Torres-Vega, Juan J. ; Massaccesi, Gustavo E. ; Ríos, Elías...
Journal of Mathematical Chemistry. 59 (2021) 2 - p. 488-504 , 2021

Link: https://doi.org/10.1007/..

14

Analysis of Local and Global Aromaticity in Si3C5 and Si4C8..:

Torres-Vega, Juan J. ; Alcoba, Diego R. ; Oña, Ofelia B....
Chemistry. 3 (2021) 4 - p. 1101-1112 , 2021

Link: https://doi.org/10.3390/..

15

Magnetic properties of closo-carborane-based Co(II) single-..:

Oña, Ofelia B. ; Alcoba, Diego R. ; Massaccesi, Gustavo E....
Polyhedron. 176 (2020) - p. 114257 , 2020

Link: https://doi.org/10.1016/..