Browse by Title

171 items found

Showing titles from 50 to 75:

  1  2  3  4  5  6  7   
FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2017 Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations Blancafort San José, Lluís ; Voityuk, Alexander A.
out url icon Recercat Distance dependence of triplet energy transfer in water and organic solvents: A QM/MD study Curutchet, Carles ; Voityuk, Alexander A.
doc icon DUGiDocs 2012 Distance dependence of triplet energy transfer in water and organic solvents: A QM/MD study Curutchet, Carles ; Voityuk, Alexander A.
doc icon DUGiDocs 2015 June La Doble vida de l’aconitasa : regulació dels nivells de ferro i del metabolisme Prat Ferrer, Cristina
out url icon Recercat La Doble vida de l’aconitasa : regulació dels nivells de ferro i del metabolisme Prat Ferrer, Cristina
doc icon DUGiDocs 2008 Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study Voityuk, Alexander A.
out url icon Recercat Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study Voityuk, Alexander A.
out url icon Recercat Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters Carvalho, Alexandra T P ; Swart, Marcel
doc icon DUGiDocs Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters Carvalho, Alexandra T.P. ; Swart, Marcel
doc icon DUGiDocs 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
out url icon Recercat 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
out url icon Recercat 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
out url icon Recercat 2018 June 1 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene
out url icon Recercat 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
out url icon Recercat 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
out url icon DUGiDocs 2023 March 13 Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis Curado Carballada, Christian
doc icon DUGiDocs 2004 Energy partitioning for "fuzzy" atoms Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat Energy partitioning for "fuzzy" atoms Salvador Sedano, Pedro ; Mayer, István
doc icon DUGiDocs 2005 Estimates of electronic coupling for excess electron transfer in DNA Voityuk, Alexander A.
out url icon Recercat Estimates of electronic coupling for excess electron transfer in DNA Voityuk, Alexander A.
out url icon Recercat Estudi computacional de la selectivitat d’un enzim hidrolasa d’epòxids Casadevall Frano, Guillem
doc icon DUGiDocs 2017 June Estudi computacional de la selectivitat d’un enzim hidrolasa d’epòxids Casadevall Franco, Guillem
doc icon DUGiDocs 2016 June Estudi del procés d’unió entre la benzamidina i la tripsina mitjançant docking molecular i simulacions de dinàmica molecular Rustullet Farjas, Anna Maria
out url icon Recercat Estudi del procés d’unió entre la benzamidina i la tripsina mitjançant docking molecular i simulacions de dinàmica molecular Rustullet Farjas, Anna Maria
out url icon Recercat Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch Torrent Sucarrat, Miquel ; Anglada, Josep M. ; Luis Luis, Josep Maria
  1  2  3  4  5  6  7   

Subjects

Authors