E-LIB Suche - Ergebnisse für: Fdez. Galvan I

1

Substituent and Solvent Effects on the UV–vis Absorption Sp..:

García-Prieto, F. Fernández ; Aguilar, M. A. ; Galván, I. Fdez....
The Journal of Physical Chemistry A. 119 (2015) 21 - p. 5504-5514 , 2015

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

2

Quantum mechanical methods applied to excitation energy tra..:

Muñoz-Losa, A. ; Curutchet, C. ; Galván, I. Fdez..
The Journal of Chemical Physics. 129 (2008) 3 - p. , 2008

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

3

Comparison of three effective Hamiltonian models of increas..:

Fdez. Galván, I. ; Martín, M. E. ; Aguilar, M. A..
The Journal of Chemical Physics. 124 (2006) 21 - p. , 2006

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

4

Theoretical Study of the 1,3-Hydrogen Shift of Triazene in ..:

Fdez. Galván, I. ; Aguilar, M. A. ; Ruiz-López, M. F.
The Journal of Physical Chemistry B. 109 (2005) 48 - p. 23024-23030 , 2005

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

5

A new method to locate saddle points for reactions in solut..:

Galván, I. Fdez. ; Martín, M. E. ; Aguilar, M. A.
Journal of Computational Chemistry. 25 (2004) 10 - p. 1227-1233 , 2004

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

6

A theoretical study of solvent effects on the (n→π*)1 elect..:

Martı́n, M. E. ; Muñoz Losa, Aurora ; Fdez.-Galván, I..
The Journal of Chemical Physics. 121 (2004) 8 - p. 3710-3716 , 2004

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

7

An averaged solvent electrostatic potential/molecular dynam..:

Muñoz Losa, A. ; Fdez. Galván, I. ; Martı́n, M.E..
Journal of Molecular Structure: THEOCHEM. 632 (2003) 1-3 - p. 227-234 , 2003

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

8

Theoretical Study of Liquid Hydrogen Fluoride. Application ..:

Muñoz-Losa, A. ; Fdez.-Galván, I. ; Martín, M. E..
The Journal of Physical Chemistry B. 107 (2003) 21 - p. 5043-5047 , 2003

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

9

An averaged solvent electrostatic potential from molecular ..:

Fdez. Galván, I. ; Olivares del Valle, F.J. ; Martín, M.E..
Theoretical Chemistry Accounts. 111 (2003) 2-6 - p. 196-203 , 2003

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

10

ASEP/MD: A program for the calculation of solvent effects c..:

Galván, I.Fdez ; Sánchez, M.L ; Martı́n, M.E..
Computer Physics Communications. 155 (2003) 3 - p. 244-259 , 2003

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

11

Geometry optimization of molecules in solution: Joint use o..:

Galván, I. Fdez. ; Sánchez, M. L. ; Martín, M. E...
The Journal of Chemical Physics. 118 (2003) 1 - p. 255-263 , 2003

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

12

Theoretical Calculation of the Stark Component of the Solut..:

Sánchez, M. L. ; Martín, M. E. ; Fdez. Galván, I...
The Journal of Physical Chemistry B. 106 (2002) 18 - p. 4813-4817 , 2002

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

13

OpenMolcas: From Source Code to Insight:

Fdez. Galvan I ; Vacher M ; Alavi A...
info:eu-repo/semantics/altIdentifier/pmid/31509407. , 2019

Link: http://hdl.handle.net/11..

14

The OpenMolcas Web: A Community-Driven Approach to Advancin..:

Li Manni, Giovanni ; Fdez. Galván, Ignacio ; Alavi, Ali...
Journal of Chemical Theory and Computation. 19 (2023) 20 - p. 6933-6991 , 2023

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

15

Non-radiative decay and fragmentation in water molecules af..:

Sankari, A. (Anna) ; Stråhlman, C. (Christian) ; Sankari, R. (Rami)... , 2020

Link: http://urn.fi/urn:nbn:fi..