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Gerd B Rocha

Showing results (11-20 of 27) with videos related to

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The Journal of Physical Chemistry. A|May 18, 2007
Structure modeling of trivalent lanthanum and lutetium complexes: Sparkle/PM3Nivan B da Costa, Ricardo O Freire, Alfredo M Simas, et al.
Journal of Computational Chemistry|May 13, 2006
RM1: a reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and IGerd B Rocha, Ricardo O Freire, Alfredo M Simas, et al.
Journal of Chemical Theory and Computation|December 4, 2015
Sparkle/PM3 Parameters for the Modeling of Neodymium(III), Promethium(III), and Samarium(III) ComplexesRicardo O Freire, Nivan B da Costa, Gerd B Rocha, et al.
Journal of Chemical Information and Modeling|May 12, 2018
Determining the Relative Binding Affinity of Ricin Toxin A Inhibitors by Using Molecular Docking and Nonequilibrium WorkElton J F Chaves, Itácio Q M Padilha, Demétrius A M Araújo, et al.
Plos One|May 26, 2016
Parameters for the RM1 Quantum Chemical Calculation of Complexes of the Trications of Thulium, Ytterbium and LutetiumManoel A M Filho, José Diogo L Dutra, Gerd B Rocha, et al.
Plos One|July 2, 2015
RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and PraseodymiumJosé Diogo L Dutra, Manoel A M Filho, Gerd B Rocha, et al.
Plos One|February 6, 2014
Semiempirical quantum chemistry model for the lanthanides: RM1 (Recife Model 1) parameters for dysprosium, holmium and erbiumManoel A M Filho, José Diogo L Dutra, Gerd B Rocha, et al.
Inorganic Chemistry|March 30, 2004
Sparkle model for AM1 calculation of lanthanide complexes: improved parameters for europiumGerd B Rocha, Ricardo O Freire, Nivan B Da Costa, et al.
Journal of Chemical Theory and Computation|November 21, 2015
RM1 Model for the Prediction of Geometries of Complexes of the Trications of Eu, Gd, and TbManoel A M Filho, José Diogo L Dutra, Higo L B Cavalcanti, et al.
Journal of Chemical Theory and Computation|November 26, 2015
GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry CalculationsJulio Daniel Carvalho Maia, Gabriel Aires Urquiza Carvalho, Carlos Peixoto Mangueira, et al.
Pageof 3

Showing results (11-20 of 27) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. A|May 18, 2007
Structure modeling of trivalent lanthanum and lutetium complexes: Sparkle/PM3Nivan B da Costa, Ricardo O Freire, Alfredo M Simas, et al.
Journal of Computational Chemistry|May 13, 2006
RM1: a reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and IGerd B Rocha, Ricardo O Freire, Alfredo M Simas, et al.
Journal of Chemical Theory and Computation|December 4, 2015
Sparkle/PM3 Parameters for the Modeling of Neodymium(III), Promethium(III), and Samarium(III) ComplexesRicardo O Freire, Nivan B da Costa, Gerd B Rocha, et al.
Journal of Chemical Information and Modeling|May 12, 2018
Determining the Relative Binding Affinity of Ricin Toxin A Inhibitors by Using Molecular Docking and Nonequilibrium WorkElton J F Chaves, Itácio Q M Padilha, Demétrius A M Araújo, et al.
Plos One|May 26, 2016
Parameters for the RM1 Quantum Chemical Calculation of Complexes of the Trications of Thulium, Ytterbium and LutetiumManoel A M Filho, José Diogo L Dutra, Gerd B Rocha, et al.
Plos One|July 2, 2015
RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and PraseodymiumJosé Diogo L Dutra, Manoel A M Filho, Gerd B Rocha, et al.
Plos One|February 6, 2014
Semiempirical quantum chemistry model for the lanthanides: RM1 (Recife Model 1) parameters for dysprosium, holmium and erbiumManoel A M Filho, José Diogo L Dutra, Gerd B Rocha, et al.
Inorganic Chemistry|March 30, 2004
Sparkle model for AM1 calculation of lanthanide complexes: improved parameters for europiumGerd B Rocha, Ricardo O Freire, Nivan B Da Costa, et al.
Journal of Chemical Theory and Computation|November 21, 2015
RM1 Model for the Prediction of Geometries of Complexes of the Trications of Eu, Gd, and TbManoel A M Filho, José Diogo L Dutra, Higo L B Cavalcanti, et al.
Journal of Chemical Theory and Computation|November 26, 2015
GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry CalculationsJulio Daniel Carvalho Maia, Gabriel Aires Urquiza Carvalho, Carlos Peixoto Mangueira, et al.
Pageof 3