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Masahiro Ehara

Showing results (21-30 of 170) with videos related to

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Journal of Computational Chemistry|July 22, 2015
Projected CAP/SAC-CI method with smooth Voronoi potential for calculating resonance statesMasahiro Ehara, Ryoichi Fukuda, Thomas Sommerfeld
The Journal of Chemical Physics|November 30, 2006
C4Cl: bent or linear?Sundaram Arulmozhiraja, Masahiro Ehara, Hiroshi Nakatsuji
Physical Chemistry Chemical Physics : PCCP|March 28, 2020
Propene oxidation catalysis and electronic structure of M<sub>55</sub> particles (M = Pd or Rh): differences and similarities between Pd<sub>55</sub> and Rh<sub>55</sub>Bo Zhu, Masahiro Ehara, Shigeyoshi Sakaki
The Journal of Chemical Physics|February 18, 2014
Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approachRyoichi Fukuda, Masahiro Ehara, Roberto Cammi
The Journal of Physical Chemistry. A|January 25, 2020
Time-Dependent Density Functional Theory Investigation of Excited State Intramolecular Proton Transfer in Tris(2-hydroxyphenyl)triazasumaneneSitanan Sartyoungkul, Masahiro Ehara, Hidehiro Sakurai
The Journal of Physical Chemistry. A|February 16, 2016
Low-Lying π* Resonances of Standard and Rare DNA and RNA Bases Studied by the Projected CAP/SAC-CI MethodYuki Kanazawa, Masahiro Ehara, Thomas Sommerfeld
Chemistry, an Asian Journal|June 24, 2015
Mechanism of the Aerobic Homocoupling of Phenylboronic Acid on Au₂₀⁻: A DFT StudySangita Karanjit, Masahiro Ehara, Hidehiro Sakurai
Physical Chemistry Chemical Physics : PCCP|April 20, 2022
Single atom alloys <i>vs.</i> phase separated alloys in Cu, Ag, and Au atoms with Ni(111) and Ni, Pd, and Pt atoms with Cu(111): a theoretical explorationJunqing Yin, Masahiro Ehara, Shigeyoshi Sakaki
Journal of Chemical Theory and Computation|November 18, 2015
Modeling Molecular Systems at Extreme Pressure by an Extension of the Polarizable Continuum Model (PCM) Based on the Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method: Confined Electronic Excited States of Furan as a Test CaseRyoichi Fukuda, Masahiro Ehara, Roberto Cammi
The Journal of Physical Chemistry. A|June 5, 2007
Investigation of the electronic spectra and excited-state geometries of poly(para-phenylene vinylene) (PPV) and poly(para-phenylene) (PP) by the symmetry-adapted cluster configuration interaction (SAC-CI) methodBiswajit Saha, Masahiro Ehara, Hiroshi Nakatsuji
Pageof 17

Showing results (21-30 of 170) with videos related to

Sort By:
Pageof 17
Journal of Computational Chemistry|July 22, 2015
Projected CAP/SAC-CI method with smooth Voronoi potential for calculating resonance statesMasahiro Ehara, Ryoichi Fukuda, Thomas Sommerfeld
The Journal of Chemical Physics|November 30, 2006
C4Cl: bent or linear?Sundaram Arulmozhiraja, Masahiro Ehara, Hiroshi Nakatsuji
Physical Chemistry Chemical Physics : PCCP|March 28, 2020
Propene oxidation catalysis and electronic structure of M<sub>55</sub> particles (M = Pd or Rh): differences and similarities between Pd<sub>55</sub> and Rh<sub>55</sub>Bo Zhu, Masahiro Ehara, Shigeyoshi Sakaki
The Journal of Chemical Physics|February 18, 2014
Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approachRyoichi Fukuda, Masahiro Ehara, Roberto Cammi
The Journal of Physical Chemistry. A|January 25, 2020
Time-Dependent Density Functional Theory Investigation of Excited State Intramolecular Proton Transfer in Tris(2-hydroxyphenyl)triazasumaneneSitanan Sartyoungkul, Masahiro Ehara, Hidehiro Sakurai
The Journal of Physical Chemistry. A|February 16, 2016
Low-Lying π* Resonances of Standard and Rare DNA and RNA Bases Studied by the Projected CAP/SAC-CI MethodYuki Kanazawa, Masahiro Ehara, Thomas Sommerfeld
Chemistry, an Asian Journal|June 24, 2015
Mechanism of the Aerobic Homocoupling of Phenylboronic Acid on Au₂₀⁻: A DFT StudySangita Karanjit, Masahiro Ehara, Hidehiro Sakurai
Physical Chemistry Chemical Physics : PCCP|April 20, 2022
Single atom alloys <i>vs.</i> phase separated alloys in Cu, Ag, and Au atoms with Ni(111) and Ni, Pd, and Pt atoms with Cu(111): a theoretical explorationJunqing Yin, Masahiro Ehara, Shigeyoshi Sakaki
Journal of Chemical Theory and Computation|November 18, 2015
Modeling Molecular Systems at Extreme Pressure by an Extension of the Polarizable Continuum Model (PCM) Based on the Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method: Confined Electronic Excited States of Furan as a Test CaseRyoichi Fukuda, Masahiro Ehara, Roberto Cammi
The Journal of Physical Chemistry. A|June 5, 2007
Investigation of the electronic spectra and excited-state geometries of poly(para-phenylene vinylene) (PPV) and poly(para-phenylene) (PP) by the symmetry-adapted cluster configuration interaction (SAC-CI) methodBiswajit Saha, Masahiro Ehara, Hiroshi Nakatsuji
Pageof 17