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Journal of Chemical Theory and Computation
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November 25, 2015
How Different Are Aromatic π Interactions from Aliphatic π Interactions and Non-π Stacking Interactions?
Kwang S Kim, S Karthikeyan, N Jiten Singh
Journal of Chemical Theory and Computation
|
November 26, 2015
Can Electron-Rich π Systems Bind Anions?
Inacrist Geronimo, N Jiten Singh, Kwang S Kim
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2011
Nature of anion-templated π(+)-π(+) interactions
Inacrist Geronimo, N Jiten Singh, Kwang S Kim
Proteins
|
September 15, 2006
Homology modeling and molecular dynamics study of West Nile virus NS3 protease: a molecular basis for the catalytic activity increased by the NS2B cofactor
Hong Zhou, N Jiten Singh, Kwang S Kim
The Journal of Physical Chemistry. A
|
June 27, 2008
Undissociated versus dissociated structures for water clusters and ammonia-water clusters: (H2O)n and NH3(H2O)n-1 (n = 5, 8, 9, 21). Theoretical study
S Karthikeyan, N Jiten Singh, Kwang S Kim
Journal of Molecular Graphics & Modelling
|
April 18, 2006
Homology modeling and molecular dynamics study of chorismate synthase from Shigella flexneri
Hong Zhou, N Jiten Singh, Kwang S Kim
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 Chemical Theory and Computation
|
December 4, 2015
Cyameluric Acid as Anion-π Type Receptor for ClO4(-) and NO3(-): π-Stacked and Edge-to-Face Structures
Dong Young Kim, N Jiten Singh, Kwang S Kim
Physical Chemistry Chemical Physics : PCCP
|
November 11, 2010
Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory
Maciej Kołaski, Anupriya Kumar, N Jiten Singh, et al.
The Journal of Physical Chemistry. A
|
October 4, 2007
Eigen and Zundel forms of small protonated water clusters: structures and infrared spectra
Mina Park, Ilgyou Shin, N Jiten Singh, et al.
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of 5
Search research articles
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Showing results (1-10 of 47) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 25, 2015
How Different Are Aromatic π Interactions from Aliphatic π Interactions and Non-π Stacking Interactions?
Kwang S Kim, S Karthikeyan, N Jiten Singh
Journal of Chemical Theory and Computation
|
November 26, 2015
Can Electron-Rich π Systems Bind Anions?
Inacrist Geronimo, N Jiten Singh, Kwang S Kim
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2011
Nature of anion-templated π(+)-π(+) interactions
Inacrist Geronimo, N Jiten Singh, Kwang S Kim
Proteins
|
September 15, 2006
Homology modeling and molecular dynamics study of West Nile virus NS3 protease: a molecular basis for the catalytic activity increased by the NS2B cofactor
Hong Zhou, N Jiten Singh, Kwang S Kim
The Journal of Physical Chemistry. A
|
June 27, 2008
Undissociated versus dissociated structures for water clusters and ammonia-water clusters: (H2O)n and NH3(H2O)n-1 (n = 5, 8, 9, 21). Theoretical study
S Karthikeyan, N Jiten Singh, Kwang S Kim
Journal of Molecular Graphics & Modelling
|
April 18, 2006
Homology modeling and molecular dynamics study of chorismate synthase from Shigella flexneri
Hong Zhou, N Jiten Singh, Kwang S Kim
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 Chemical Theory and Computation
|
December 4, 2015
Cyameluric Acid as Anion-π Type Receptor for ClO4(-) and NO3(-): π-Stacked and Edge-to-Face Structures
Dong Young Kim, N Jiten Singh, Kwang S Kim
Physical Chemistry Chemical Physics : PCCP
|
November 11, 2010
Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory
Maciej Kołaski, Anupriya Kumar, N Jiten Singh, et al.
The Journal of Physical Chemistry. A
|
October 4, 2007
Eigen and Zundel forms of small protonated water clusters: structures and infrared spectra
Mina Park, Ilgyou Shin, N Jiten Singh, et al.
Page
of 5