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Physical Chemistry Chemical Physics : PCCP
|
May 21, 2011
A combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals: implementation for electronic excited states
Yukio Kawashima, Haruyuki Nakano, Jaewoon Jung, et al.
The Journal of Chemical Physics
|
February 8, 2013
Improved constrained optimization method for reaction-path determination in the generalized hybrid orbital quantum mechanical/molecular mechanical calculations
Jaewoon Jung, Suyong Re, Yuji Sugita, et al.
The Journal of Chemical Physics
|
May 10, 2008
Explicitly correlated coupled cluster F12 theory with single and double excitations
Jozef Noga, Stanislav Kedzuch, Ján Simunek, et al.
The Journal of Chemical Physics
|
August 24, 2010
Anharmonic vibrational analysis of water with traditional and explicitly correlated coupled cluster methods
Kalju Kahn, Bernard Kirtman, Jozef Noga, et al.
The Journal of Chemical Physics
|
March 3, 2017
Perspective: Explicitly correlated electronic structure theory for complex systems
Andreas Grüneis, So Hirata, Yu-Ya Ohnishi, et al.
Journal of Computational Chemistry
|
July 24, 2010
Geometrically associative yet electronically dissociative character in the transition state of enzymatic reversible phosphorylation
Suyong Re, Takashi Imai, Jaewoon Jung, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 2, 2012
An explicitly correlated Mukherjee's state specific coupled cluster method: development and pilot applications
Ondřej Demel, Stanislav Kedžuch, Matej Švaňa, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 2, 2012
Versatile supramolecular gelators that can harden water, organic solvents and ionic liquids
Nami Minakuchi, Kazuki Hoe, Daisuke Yamaki, et al.
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of 3
Search research articles
Search
Showing results (21-30 of 28) with videos related to
Sort By:
Page
of 3
You have reached the last page of results.
This site can display upto 28 results.
Physical Chemistry Chemical Physics : PCCP
|
May 21, 2011
A combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals: implementation for electronic excited states
Yukio Kawashima, Haruyuki Nakano, Jaewoon Jung, et al.
The Journal of Chemical Physics
|
February 8, 2013
Improved constrained optimization method for reaction-path determination in the generalized hybrid orbital quantum mechanical/molecular mechanical calculations
Jaewoon Jung, Suyong Re, Yuji Sugita, et al.
The Journal of Chemical Physics
|
May 10, 2008
Explicitly correlated coupled cluster F12 theory with single and double excitations
Jozef Noga, Stanislav Kedzuch, Ján Simunek, et al.
The Journal of Chemical Physics
|
August 24, 2010
Anharmonic vibrational analysis of water with traditional and explicitly correlated coupled cluster methods
Kalju Kahn, Bernard Kirtman, Jozef Noga, et al.
The Journal of Chemical Physics
|
March 3, 2017
Perspective: Explicitly correlated electronic structure theory for complex systems
Andreas Grüneis, So Hirata, Yu-Ya Ohnishi, et al.
Journal of Computational Chemistry
|
July 24, 2010
Geometrically associative yet electronically dissociative character in the transition state of enzymatic reversible phosphorylation
Suyong Re, Takashi Imai, Jaewoon Jung, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 2, 2012
An explicitly correlated Mukherjee's state specific coupled cluster method: development and pilot applications
Ondřej Demel, Stanislav Kedžuch, Matej Švaňa, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 2, 2012
Versatile supramolecular gelators that can harden water, organic solvents and ionic liquids
Nami Minakuchi, Kazuki Hoe, Daisuke Yamaki, et al.
Page
of 3