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The Journal of Physical Chemistry. A|January 25, 2017
Two-Component Relativistic Equation-of-Motion Coupled-Cluster Methods for Excitation Energies and Ionization Potentials of Atoms and MoleculesYoshinobu Akinaga, Takahito NakajimaJournal of Computational Chemistry|January 8, 2015
Theoretical investigation of enantioselectivity of cage-like supramolecular assembly: the insights into the shape complementarity and host-guest interactionYusuke Ootani, Yoshinobu Akinaga, Takahito NakajimaThe Journal of Chemical Physics|August 24, 2017
A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potentialRahul Maitra, Yoshinobu Akinaga, Takahito NakajimaPhysical Chemistry Chemical Physics : PCCP|July 16, 2011
QM/MM calculation of protein magnetic shielding tensors with generalized hybrid-orbital method: a GIAO approachYoshinobu Akinaga, Jaewoon Jung, Seiichiro Ten-noPhysical Chemistry Chemical Physics : PCCP|October 29, 2008
Lattice Boltzmann simulations for proton transport in 2-D model channels of NafionYoshinobu Akinaga, Shi-aki Hyodo, Tamio IkeshojiJournal of Chemical Information and Modeling|July 12, 2022
Single-Image Super-Resolution Improvement of X-ray Single-Particle Diffraction Images Using a Convolutional Neural NetworkAtsushi Tokuhisa, Yoshinobu Akinaga, Kei Terayama, et al.Journal of Computational Chemistry|March 21, 2020
Fragmentation at sp2 carbon atoms in fragment molecular orbital methodYoshinobu Akinaga, Koichiro Kato, Tatsuya Nakano, et al.Journal of Computational Chemistry|December 30, 2023
Enhancement of energy decomposition analysis in fragment molecular orbital calculationsSota Matsuoka, Kota Sakakura, Yoshinobu Akinaga, et al.Communications Chemistry|June 4, 2026
Digital twin of biomacromolecular thermodynamics in cryo-EM dataKimihiro Yamazaki, Mutsuyo Wada, Yuichiro Wada, et al.Journal of Computational Chemistry|June 9, 2022
Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energyKenichiro Takaba, Chiduru Watanabe, Atsushi Tokuhisa, et al.Pageof 2