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The Journal of Chemical Physics
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June 18, 2009
On the phase diagram of water with density functional theory potentials: The melting temperature of ice I(h) with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals
Soohaeng Yoo, Xiao Cheng Zeng, Sotiris S Xantheas
The Journal of Chemical Physics
|
December 5, 2012
Stochastic evaluation of second-order many-body perturbation energies
Soohaeng Yoo Willow, Kwang S Kim, So Hirata
The Journal of Chemical Physics
|
December 21, 2023
Learned mappings for targeted free energy perturbation between peptide conformations
Soohaeng Yoo Willow, Lulu Kang, David D L Minh
The Journal of Chemical Physics
|
December 3, 2008
Solvent effects on optical properties of molecules: a combined time-dependent density functional theory/effective fragment potential approach
Soohaeng Yoo, Federico Zahariev, Sarom Sok, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
NH4(+) Resides Inside the Water 20-mer Cage As Opposed to H3O(+), Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study
Soohaeng Yoo Willow, N Jiten Singh, Kwang S Kim
Journal of the American Chemical Society
|
October 30, 2003
Possible lowest-energy geometry of silicon clusters Si21 and Si25
Soohaeng Yoo, Xiao Cheng Zeng, Xiaolei Zhu, et al.
Journal of the American Chemical Society
|
October 21, 2004
Endohedral silicon fullerenes sinN (27 < or = N < or = 39)
Soohaeng Yoo, Jijun Zhao, Jinlan Wang, et al.
Journal of the American Chemical Society
|
November 3, 2005
The Tolman length: is it positive or negative?
Yi An Lei, Tikhon Bykov, Soohaeng Yoo, et al.
The Journal of Chemical Physics
|
February 12, 2015
Communication: stochastic evaluation of explicitly correlated second-order many-body perturbation energy
Soohaeng Yoo Willow, Jinmei Zhang, Edward F Valeev, et al.
The Journal of Physical Chemistry. A
|
October 20, 2006
Lowest-energy structures of water clusters (H2O)11 and (H2O)13
Satya Bulusu, Soohaeng Yoo, Edo Aprà, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 36) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
June 18, 2009
On the phase diagram of water with density functional theory potentials: The melting temperature of ice I(h) with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals
Soohaeng Yoo, Xiao Cheng Zeng, Sotiris S Xantheas
The Journal of Chemical Physics
|
December 5, 2012
Stochastic evaluation of second-order many-body perturbation energies
Soohaeng Yoo Willow, Kwang S Kim, So Hirata
The Journal of Chemical Physics
|
December 21, 2023
Learned mappings for targeted free energy perturbation between peptide conformations
Soohaeng Yoo Willow, Lulu Kang, David D L Minh
The Journal of Chemical Physics
|
December 3, 2008
Solvent effects on optical properties of molecules: a combined time-dependent density functional theory/effective fragment potential approach
Soohaeng Yoo, Federico Zahariev, Sarom Sok, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
NH4(+) Resides Inside the Water 20-mer Cage As Opposed to H3O(+), Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study
Soohaeng Yoo Willow, N Jiten Singh, Kwang S Kim
Journal of the American Chemical Society
|
October 30, 2003
Possible lowest-energy geometry of silicon clusters Si21 and Si25
Soohaeng Yoo, Xiao Cheng Zeng, Xiaolei Zhu, et al.
Journal of the American Chemical Society
|
October 21, 2004
Endohedral silicon fullerenes sinN (27 < or = N < or = 39)
Soohaeng Yoo, Jijun Zhao, Jinlan Wang, et al.
Journal of the American Chemical Society
|
November 3, 2005
The Tolman length: is it positive or negative?
Yi An Lei, Tikhon Bykov, Soohaeng Yoo, et al.
The Journal of Chemical Physics
|
February 12, 2015
Communication: stochastic evaluation of explicitly correlated second-order many-body perturbation energy
Soohaeng Yoo Willow, Jinmei Zhang, Edward F Valeev, et al.
The Journal of Physical Chemistry. A
|
October 20, 2006
Lowest-energy structures of water clusters (H2O)11 and (H2O)13
Satya Bulusu, Soohaeng Yoo, Edo Aprà, et al.
Page
of 4