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Journal of Computational Chemistry|February 15, 2007
Wavelet transform analysis of ab initio molecular dynamics simulation: application to core-excitation dynamics of BF3Takao Otsuka, Hiromi NakaiJournal of Computational Chemistry|April 17, 2007
Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionalsYutaka Imamura, Takao Otsuka, Hiromi NakaiJournal of Computational Chemistry|September 25, 2015
Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital methodTakao Otsuka, Noriaki Okimoto, Makoto TaijiPhysical Chemistry Chemical Physics : PCCP|December 16, 2017
Theoretical study on photo-induced processes of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium halide species: an application of constrained density functional theoryTakao Otsuka, Masato Sumita, Hironori Izawa, et al.ACS Omega|August 29, 2019
Use of the Multilayer Fragment Molecular Orbital Method to Predict the Rank Order of Protein-Ligand Binding Affinities: A Case Study Using Tankyrase 2 InhibitorsNoriaki Okimoto, Takao Otsuka, Yoshinori Hirano, et al.Physical Chemistry Chemical Physics : PCCP|May 26, 2016
Intermolecular electron transfer states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide obtained by constrained density functional theoryTakao Otsuka, Masato Sumita, Hironori Izawa, et al.The Journal of Chemical Physics|March 11, 2006
Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functionalAyako Nakata, Yutaka Imamura, Takao Otsuka, et al.Hepato-Gastroenterology|July 23, 2009
Efficacy of major hepatectomy for large hepatocellular carcinomaAtsushi Miyoshi, Tomohide Takahashi, Takao Otsuka, et al.The Journal of Chemical Physics|September 14, 2013
Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomoleculesTomoki Kobori, Keitaro Sodeyama, Takao Otsuka, et al.Journal of Computational Chemistry|March 23, 2002
Theoretical Auger electron spectra of polymers by density functional theory calculations using model dimersTakao Otsuka, Seiji Koizumi, Kazunaka Endo, et al.Pageof 4