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Galván, Ignacio Fdez.
127  Ergebnisse:
Personensuche X
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1

Minimum-Energy Conical Intersections by Compressed Multista..:

Calio, Paul B. ; Hermes, Matthew R. ; Bao, Jie J....
The Journal of Physical Chemistry A.  128 (2024)  9 - p. 1698-1706 , 2024
Link: https://doi.org/10.1021/..
 
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2

Machine learning for analysing ab initio molecular dynamics..:

Häse, Florian ; Galván, Ignacio Fdez. ; Aspuru-Guzik, Alán..
Journal of Physics: Conference Series.  1412 (2020)  4 - p. 042003 , 2020
Link: https://doi.org/10.1088/..
 
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3

Restricted-Variance Molecular Geometry Optimization Based o..:

Raggi, Gerardo ; Galván, Ignacio Fdez. ; Ritterhoff, Christian L...
Journal of Chemical Theory and Computation.  16 (2020)  6 - p. 3989-4001 , 2020
Link: https://doi.org/10.1021/..
 
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4

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

Sankari, Anna ; Stråhlman, Christian ; Sankari, Rami...
The Journal of Chemical Physics.  152 (2020)  7 - p. 074302 , 2020
Link: https://doi.org/10.1063/..
 
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5

A combined theoretical and experimental study on the mechan..:

Farahani, Pooria ; Oliveira, Marcelo A. ; Galván, Ignacio Fdez..
RSC Advances.  7 (2017)  28 - p. 17462-17472 , 2017
Link: https://doi.org/10.1039/..
 
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6

A new QM/MM method oriented to the study of ionic liquids:

Sánchez, M. Luz ; Corchado, José C. ; Martín, M. Elena...
Journal of Computational Chemistry.  36 (2015)  25 - p. 1893-1901 , 2015
Link: https://doi.org/10.1002/..
 
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7

A theoretical analysis of the intrinsic light-harvesting pr..:

Roca-Sanjuán, Daniel ; Galván, Ignacio Fdez ; Giussani, Angelo.
Computational and Theoretical Chemistry.  1040-1041 (2014)  - p. 230-236 , 2014
Link: https://doi.org/10.1016/..
 
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8

Solvent Effects on the Absorption Spectra of the para-Couma..:

García-Prieto, Francisco F. ; Galván, Ignacio Fdez. ; Muñoz-Losa, Aurora..
Journal of Chemical Theory and Computation.  9 (2013)  10 - p. 4481-4494 , 2013
Link: https://doi.org/10.1021/..
 
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9

Solvent Effects on the Radiative and Nonradiative Decay of ..:

Muñoz-Losa, Aurora ; Martín, M. Elena ; Galván, Ignacio Fdez...
Journal of Chemical Theory and Computation.  7 (2011)  12 - p. 4050-4059 , 2011
Link: https://doi.org/10.1021/..
 
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10

Study on the conformational equilibrium of the alanine dipe..:

García-Prieto, Francisco F. ; Galván, Ignacio Fdez. ; Aguilar, Manuel A..
The Journal of Chemical Physics.  135 (2011)  19 - p. , 2011
Link: https://doi.org/10.1063/..
 
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11

Theoretical Study of the Dual Fluorescence of 4-(N,N-Dimeth..:

Galván, Ignacio Fdez. ; Martín, M. Elena ; Aguilar, Manuel A.
Journal of Chemical Theory and Computation.  6 (2010)  8 - p. 2445-2454 , 2010
Link: https://doi.org/10.1021/..
 
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12

Improving the efficiency of the NEB reaction path finding a..:

Galván, Ignacio Fdez. ; Field, Martin J.
Journal of Computational Chemistry.  29 (2007)  1 - p. 139-143 , 2007
Link: https://doi.org/10.1002/..
 
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13

Location of conical intersections in solution using a seque..:

Muñoz Losa, Aurora ; Martín, M. Elena ; Galván, Ignacio Fdez..
Chemical Physics Letters.  443 (2007)  1-3 - p. 76-81 , 2007
Link: https://doi.org/10.1016/..
 
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14

An ASEP/MD study of liquid chloroform:

Elena Martín, M. ; Muñoz Losa, Aurora ; Galván, Ignacio Fdez..
Journal of Molecular Structure: THEOCHEM.  775 (2006)  1-3 - p. 81-86 , 2006
Link: https://doi.org/10.1016/..
 
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15

Framework‐based design of a new all‐purpose molecular simul..:

Johnston, Michael A. ; Galván, Ignacio Fdez. ; Villà‐Freixa, Jordi
Journal of Computational Chemistry.  26 (2005)  15 - p. 1647-1659 , 2005
Link: https://doi.org/10.1002/..
 
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