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Physical Chemistry Chemical Physics : PCCP
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September 12, 2013
Electronic excited states and electronic spectra of biphenyl: a study using many-body wavefunction methods and density functional theories
Ryoichi Fukuda, Masahiro Ehara
The Journal of Organic Chemistry
|
January 18, 2017
Computational Studies on Reaction Mechanism and Origins of Selectivities in Nickel-Catalyzed (2 + 2 + 2) Cycloadditions and Alkenylative Cyclizations of 1,6-Ene-Allenes and Alkenes
Tao Yang, Masahiro Ehara
The Journal of Chemical Physics
|
October 9, 2012
Electronic excitations of C60 fullerene calculated using the ab initio cluster expansion method
Ryoichi Fukuda, Masahiro Ehara
Journal of Chemical Theory and Computation
|
November 18, 2015
Complex absorbing potentials with Voronoi isosurfaces wrapping perfectly around molecules
Thomas Sommerfeld, Masahiro Ehara
The Journal of Chemical Physics
|
March 27, 2012
Excited states and electronic spectra of annulated dinuclear free-base phthalocyanines: a theoretical study on near-infrared-absorbing dyes
Ryoichi Fukuda, Masahiro Ehara
Journal of Computational Chemistry
|
September 16, 2014
Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules
Ryoichi Fukuda, Masahiro Ehara
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2017
Probing the electronic structures of Co<sub>n</sub> (n = 1-5) clusters on γ-Al<sub>2</sub>O<sub>3</sub> surfaces using first-principles calculations
Tao Yang, Masahiro Ehara
The Journal of Chemical Physics
|
September 16, 2005
Iterative Cl general singles and doubles (ICIGSD) method for calculating the exact wave functions of the ground and excited states of molecules
Hiroshi Nakatsuji, Masahiro Ehara
The Journal of Chemical Physics
|
August 24, 2013
Theoretical study of the electronic excitations of free-base porphyrin-Ar2 van der Waals complexes
Ryoichi Fukuda, Masahiro Ehara
Journal of Chemical Theory and Computation
|
November 22, 2015
Mechanisms for Solvatochromic Shifts of Free-Base Porphine Studied with Polarizable Continuum Models and Explicit Solute-Solvent Interactions
Ryoichi Fukuda, Masahiro Ehara
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of 17
Search research articles
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Showing results (1-10 of 170) with videos related to
Sort By:
Page
of 17
Physical Chemistry Chemical Physics : PCCP
|
September 12, 2013
Electronic excited states and electronic spectra of biphenyl: a study using many-body wavefunction methods and density functional theories
Ryoichi Fukuda, Masahiro Ehara
The Journal of Organic Chemistry
|
January 18, 2017
Computational Studies on Reaction Mechanism and Origins of Selectivities in Nickel-Catalyzed (2 + 2 + 2) Cycloadditions and Alkenylative Cyclizations of 1,6-Ene-Allenes and Alkenes
Tao Yang, Masahiro Ehara
The Journal of Chemical Physics
|
October 9, 2012
Electronic excitations of C60 fullerene calculated using the ab initio cluster expansion method
Ryoichi Fukuda, Masahiro Ehara
Journal of Chemical Theory and Computation
|
November 18, 2015
Complex absorbing potentials with Voronoi isosurfaces wrapping perfectly around molecules
Thomas Sommerfeld, Masahiro Ehara
The Journal of Chemical Physics
|
March 27, 2012
Excited states and electronic spectra of annulated dinuclear free-base phthalocyanines: a theoretical study on near-infrared-absorbing dyes
Ryoichi Fukuda, Masahiro Ehara
Journal of Computational Chemistry
|
September 16, 2014
Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules
Ryoichi Fukuda, Masahiro Ehara
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2017
Probing the electronic structures of Co<sub>n</sub> (n = 1-5) clusters on γ-Al<sub>2</sub>O<sub>3</sub> surfaces using first-principles calculations
Tao Yang, Masahiro Ehara
The Journal of Chemical Physics
|
September 16, 2005
Iterative Cl general singles and doubles (ICIGSD) method for calculating the exact wave functions of the ground and excited states of molecules
Hiroshi Nakatsuji, Masahiro Ehara
The Journal of Chemical Physics
|
August 24, 2013
Theoretical study of the electronic excitations of free-base porphyrin-Ar2 van der Waals complexes
Ryoichi Fukuda, Masahiro Ehara
Journal of Chemical Theory and Computation
|
November 22, 2015
Mechanisms for Solvatochromic Shifts of Free-Base Porphine Studied with Polarizable Continuum Models and Explicit Solute-Solvent Interactions
Ryoichi Fukuda, Masahiro Ehara
Page
of 17