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Journal of Chemical Theory and Computation
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August 5, 2024
Parameter Optimization Method in Multidimensional Umbrella Sampling
Yuki Mitsuta, Toshio Asada
Journal of Computational Chemistry
|
November 16, 2022
Curvature-weighted nudged elastic band method using the Riemann curvature
Yuki Mitsuta, Toshio Asada
The Journal of Chemical Physics
|
November 5, 2025
Automated bias potential optimization via position and variance control in umbrella sampling
Yuki Mitsuta, Toshio Asada
Journal of Computational Chemistry
|
May 29, 2023
Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths
Yuki Mitsuta, Toshio Asada
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2022
Calculation of the permeability coefficients of small molecules through lipid bilayers by free-energy reaction network analysis following the explicit treatment of the internal conformation of the solute
Yuki Mitsuta, Toshio Asada, Yasuteru Shigeta
The Journal of Physical Chemistry. A
|
January 10, 2020
Theoretical Examination of the Plausible Reaction Process for Stereoselective Synthesis of Hexapole Helicene via a Palladium-Catalyzed [2 + 2 + 2] Cyclotrimerization of [5]Helicenyl Aryne
Tomoka Hosokawa, Toshio Asada, Ken Kamikawa
Physical Chemistry Chemical Physics : PCCP
|
November 25, 2010
Ab initio electron correlated studies on the intracluster reaction of NO+ (H2O)(n) → H3O+ (H2O)(n-2) (HONO) (n = 4 and 5)
Toshio Asada, Masataka Nagaoka, Shiro Koseki
The Journal of Physical Chemistry. A
|
July 13, 2006
Theoretical calculation of structures and proton transfer in hydrated ammonia-hydrogen chloride clusters
Toshio Asada, Seisuke Takitani, Shiro Koseki
The Journal of Physical Chemistry. A
|
December 8, 2006
Relativistic study on emission mechanism in palladium and platinum complexes
Takeshi Matsushita, Toshio Asada, Shiro Koseki
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 11, 2015
Synthesis of a double helicene by a palladium-catalyzed cross-coupling reaction: structure and physical properties
Hitoshi Kashihara, Toshio Asada, Ken Kamikawa
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of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
August 5, 2024
Parameter Optimization Method in Multidimensional Umbrella Sampling
Yuki Mitsuta, Toshio Asada
Journal of Computational Chemistry
|
November 16, 2022
Curvature-weighted nudged elastic band method using the Riemann curvature
Yuki Mitsuta, Toshio Asada
The Journal of Chemical Physics
|
November 5, 2025
Automated bias potential optimization via position and variance control in umbrella sampling
Yuki Mitsuta, Toshio Asada
Journal of Computational Chemistry
|
May 29, 2023
Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths
Yuki Mitsuta, Toshio Asada
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2022
Calculation of the permeability coefficients of small molecules through lipid bilayers by free-energy reaction network analysis following the explicit treatment of the internal conformation of the solute
Yuki Mitsuta, Toshio Asada, Yasuteru Shigeta
The Journal of Physical Chemistry. A
|
January 10, 2020
Theoretical Examination of the Plausible Reaction Process for Stereoselective Synthesis of Hexapole Helicene via a Palladium-Catalyzed [2 + 2 + 2] Cyclotrimerization of [5]Helicenyl Aryne
Tomoka Hosokawa, Toshio Asada, Ken Kamikawa
Physical Chemistry Chemical Physics : PCCP
|
November 25, 2010
Ab initio electron correlated studies on the intracluster reaction of NO+ (H2O)(n) → H3O+ (H2O)(n-2) (HONO) (n = 4 and 5)
Toshio Asada, Masataka Nagaoka, Shiro Koseki
The Journal of Physical Chemistry. A
|
July 13, 2006
Theoretical calculation of structures and proton transfer in hydrated ammonia-hydrogen chloride clusters
Toshio Asada, Seisuke Takitani, Shiro Koseki
The Journal of Physical Chemistry. A
|
December 8, 2006
Relativistic study on emission mechanism in palladium and platinum complexes
Takeshi Matsushita, Toshio Asada, Shiro Koseki
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 11, 2015
Synthesis of a double helicene by a palladium-catalyzed cross-coupling reaction: structure and physical properties
Hitoshi Kashihara, Toshio Asada, Ken Kamikawa
Page
of 3