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2020 February 15 |
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules |
Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
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2004 March 25 |
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules |
Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
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1999 |
Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes |
Daza, Martha C.
; Dobado, J. A.
; Molina Molina, José
; Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Villaveces, José Luis
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Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes |
Daza, Martha C.
; Dobado, J. A.
; Molina Molina, José
; Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Villaveces, José Luis
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2008 |
Bernoulli correction to viscous losses: Radial flow between two parallel discs |
Armengol Masferrer, Jordi
; Calbó Angrill, Josep
; Pujol i Sagaró, Toni
; Roura Grabulosa, Pere
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Bernoulli correction to viscous losses: Radial flow between two parallel discs |
Armengol Masferrer, Jordi
; Calbó Angrill, Josep
; Pujol i Sagaró, Toni
; Roura Grabulosa, Pere
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2005 |
Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene |
Luis Luis, Josep Maria
; Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Bishop, David M.
; Kirtman, Bernard
|
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Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene |
Luis Luis, Josep Maria
; Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Bishop, David M.
; Kirtman, Bernard
|
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Canopy-scale turbulence under oscillatory flow |
Pujol, Dolors
; Casamitjana, Xavier
; Serra Putellas, Teresa
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2013 September 1 |
Canopy-scale turbulence under oscillatory flow |
Pujol Company, M. Dolors
; Casamitjana, Xavier
; Serra Putellas, Teresa
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2024 June |
Caracterització i simulació numèrica avançada del procés de fractura i la resistència estructural en compòsits |
Gatius Adroher, Aleix
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2005 |
Charge transfer in DNA: hole charge is confined to a single base pair due to solvation effects |
Voityuk, Alexander A.
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Charge transfer in DNA: hole charge is confined to a single base pair due to solvation effects |
Voityuk, Alexander A.
|
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2005 |
Clase del 2011-09-21. Problemas y Dinámica del sólido rígido 01 |
Pérez Losada, Joaquim
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2011 September 21 |
Clase del 2011-09-21. Problemas y Dinámica del sólido rígido 01 |
Pérez Losada, Joaquim
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2005 |
Clase del 2011-09-21. Problemas y Dinámica del sólido rígido 02 |
Pérez Losada, Joaquim
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2011 September 21 |
Clase del 2011-09-21. Problemas y Dinámica del sólido rígido 02 |
Pérez Losada, Joaquim
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2023 July 7 |
Computational exploration and design of HHDH variants with novel synthetically useful functionalities |
Estévez-Gay, Miquel
|
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2022 September 26 |
A computational micromechanics investigation of longitudinal strength in unidirectional fibre reinforced composites |
Barzegar, Mostafa
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2023 June 2 |
Computational strategies for understanding the molecular basis of biochemical and biocatalytic processes |
Calvó-Tusell, Carla
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2021 February 12 |
Computational studies of the conformational landscape of allosteric and enantioselective enzymes |
María Solano, Miguel Ángel
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Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials |
Reis, Heribert C.
; Luis Luis, Josep Maria
; Garcia Borràs, Marc
; Kirtman, Bernard
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2014 January 14 |
Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials |
Reis, Heribert
; Luis Luis, Josep Maria
; Garcia Borràs, Marc
; Kirtman, Bernard
|
|
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2008 |
Conformations of poly{G}-poly{C} π stacks with high hole mobility |
Voityuk, Alexander A.
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Conformations of poly{G}-poly{C} π stacks with high hole mobility |
Voityuk, Alexander A.
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