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The Journal of Chemical Physics
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July 5, 2013
Excited-state free energy surfaces in solution: time-dependent density functional theory∕reference interaction site model self-consistent field method
Noriyuki Minezawa
The Journal of Chemical Physics
|
November 3, 2014
Optimizing minimum free-energy crossing points in solution: linear-response free energy/spin-flip density functional theory approach
Noriyuki Minezawa
The Journal of Chemical Physics
|
January 17, 2020
Quantum mechanical/molecular mechanical trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Noriyuki Minezawa, Takahito Nakajima
The Journal of Physical Chemistry. A
|
July 15, 2006
Intramolecular charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in acetonitrile solution: RISM-SCF study
Noriyuki Minezawa, Shigeki Kato
The Journal of Chemical Physics
|
June 3, 2019
Trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Noriyuki Minezawa, Takahito Nakajima
The Journal of Chemical Physics
|
February 17, 2007
Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations
Noriyuki Minezawa, Shigeki Kato
The Journal of Physical Chemistry. A
|
November 13, 2009
Optimizing conical intersections by spin-flip density functional theory: application to ethylene
Noriyuki Minezawa, Mark S Gordon
The Journal of Physical Chemistry. A
|
June 7, 2011
Photoisomerization of stilbene: a spin-flip density functional theory approach
Noriyuki Minezawa, Mark S Gordon
The Journal of Chemical Physics
|
July 27, 2012
Optimizing conical intersections of solvated molecules: the combined spin-flip density functional theory/effective fragment potential method
Noriyuki Minezawa, Mark S Gordon
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2024
A density functional study of the photocatalytic degradation of polycaprolactone by the decatungstate anion in acetonitrile solution
Noriyuki Minezawa, Kosuke Suzuki, Susumu Okazaki
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
July 5, 2013
Excited-state free energy surfaces in solution: time-dependent density functional theory∕reference interaction site model self-consistent field method
Noriyuki Minezawa
The Journal of Chemical Physics
|
November 3, 2014
Optimizing minimum free-energy crossing points in solution: linear-response free energy/spin-flip density functional theory approach
Noriyuki Minezawa
The Journal of Chemical Physics
|
January 17, 2020
Quantum mechanical/molecular mechanical trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Noriyuki Minezawa, Takahito Nakajima
The Journal of Physical Chemistry. A
|
July 15, 2006
Intramolecular charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in acetonitrile solution: RISM-SCF study
Noriyuki Minezawa, Shigeki Kato
The Journal of Chemical Physics
|
June 3, 2019
Trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Noriyuki Minezawa, Takahito Nakajima
The Journal of Chemical Physics
|
February 17, 2007
Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations
Noriyuki Minezawa, Shigeki Kato
The Journal of Physical Chemistry. A
|
November 13, 2009
Optimizing conical intersections by spin-flip density functional theory: application to ethylene
Noriyuki Minezawa, Mark S Gordon
The Journal of Physical Chemistry. A
|
June 7, 2011
Photoisomerization of stilbene: a spin-flip density functional theory approach
Noriyuki Minezawa, Mark S Gordon
The Journal of Chemical Physics
|
July 27, 2012
Optimizing conical intersections of solvated molecules: the combined spin-flip density functional theory/effective fragment potential method
Noriyuki Minezawa, Mark S Gordon
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2024
A density functional study of the photocatalytic degradation of polycaprolactone by the decatungstate anion in acetonitrile solution
Noriyuki Minezawa, Kosuke Suzuki, Susumu Okazaki
Page
of 2