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2008 |
Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study |
Voityuk, Alexander A.
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Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study |
Voityuk, Alexander A.
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Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters |
Carvalho, Alexandra T P
; Swart, Marcel
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Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters |
Carvalho, Alexandra T.P.
; Swart, Marcel
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2010 |
Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zalésny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zalésny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zalésny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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2018 June 1 |
Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
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2018 June 5 |
Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zaleśny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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2020 February 15 |
Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zaleśny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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2004 |
Energy partitioning for "fuzzy" atoms |
Salvador Sedano, Pedro
; Mayer, István
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Energy partitioning for "fuzzy" atoms |
Salvador Sedano, Pedro
; Mayer, István
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2005 |
Estimates of electronic coupling for excess electron transfer in DNA |
Voityuk, Alexander A.
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Estimates of electronic coupling for excess electron transfer in DNA |
Voityuk, Alexander A.
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Estudi computacional de la selectivitat d’un enzim hidrolasa d’epòxids |
Casadevall Frano, Guillem
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2017 June |
Estudi computacional de la selectivitat d’un enzim hidrolasa d’epòxids |
Casadevall Frano, Guillem
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2016 June |
Estudi del procés d’unió entre la benzamidina i la tripsina mitjançant docking molecular i simulacions de dinà mica molecular |
Rustullet Farjas, Anna Maria
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Estudi del procés d’unió entre la benzamidina i la tripsina mitjançant docking molecular i simulacions de dinà mica molecular |
Rustullet Farjas, Anna Maria
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Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
Torrent Sucarrat, Miquel
; Anglada, Josep M.
; Luis Luis, Josep Maria
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Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
Torrent Sucarrat, Miquel
; Anglada, Josep M.
; Luis Luis, Josep Maria
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2018 June 1 |
Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
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2018 June 5 |
Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
Torrent Sucarrat, Miquel
; Anglada, Josep M.
; Luis Luis, Josep Maria
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2012 |
Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
Torrent Sucarrat, Miquel
; Anglada, Josep M.
; Luis Luis, Josep Maria
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Examining the formation of specific interactions between poly (3,4-ethylenedioxythiophene) and nucleotide bases |
Zanuy, David
; Teixeira-Dias, Bruno
; Valle, Luis J. del
; Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
; Alemán, Carlos
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Examining the formation of specific interactions between poly (3,4-ethylenedioxythiophene) and nucleotide bases |
Zanuy, David
; Teixeira-Dias, Bruno
; Valle, Luis J. del
; Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
; Alemán, Carlos
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