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The Journal of Chemical Physics
|
February 9, 2010
Accelerating self-consistent field convergence with the augmented Roothaan-Hall energy function
Xiangqian Hu, Weitao Yang
The Journal of Physical Chemistry Letters
|
May 17, 2013
<i>λ</i>-Meta Dynamics Approach To Compute Absolute Solvation Free Energy
Pan Wu, Xiangqian Hu, Weitao Yang
Journal of Chemical Theory and Computation
|
May 18, 2013
Fragment-based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru<sup>2+</sup>-Ru<sup>3+</sup> Self-Exchange Electron Transfer
Xiancheng Zeng, Xiangqian Hu, Weitao Yang
The Journal of Chemical Physics
|
June 24, 2010
A gradient-directed Monte Carlo method for global optimization in a discrete space: application to protein sequence design and folding
Xiangqian Hu, David N Beratan, Weitao Yang
The Journal of Chemical Physics
|
August 22, 2008
A gradient-directed Monte Carlo approach to molecular design
Xiangqian Hu, David N Beratan, Weitao Yang
Journal of Computational Chemistry
|
February 3, 2012
Exploring biological electron transfer pathway dynamics with the Pathways plugin for VMD
Ilya A Balabin, Xiangqian Hu, David N Beratan
Journal of Chemical Theory and Computation
|
July 30, 2013
Noncovalent Interaction Analysis in Fluctuating Environments
Pan Wu, Robin Chaudret, Xiangqian Hu, et al.
The Journal of Chemical Physics
|
May 2, 2009
Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method
Xiancheng Zeng, Hao Hu, Xiangqian Hu, et al.
The Journal of Physical Chemistry. A
|
January 5, 2007
Designing molecules with optimal properties using the linear combination of atomic potentials approach in an AM1 semiempirical framework
Shahar Keinan, Xiangqian Hu, David N Beratan, et al.
Journal of the American Chemical Society
|
March 9, 2006
Designing molecules by optimizing potentials
Mingliang Wang, Xiangqian Hu, David N Beratan, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 32) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
February 9, 2010
Accelerating self-consistent field convergence with the augmented Roothaan-Hall energy function
Xiangqian Hu, Weitao Yang
The Journal of Physical Chemistry Letters
|
May 17, 2013
<i>λ</i>-Meta Dynamics Approach To Compute Absolute Solvation Free Energy
Pan Wu, Xiangqian Hu, Weitao Yang
Journal of Chemical Theory and Computation
|
May 18, 2013
Fragment-based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru<sup>2+</sup>-Ru<sup>3+</sup> Self-Exchange Electron Transfer
Xiancheng Zeng, Xiangqian Hu, Weitao Yang
The Journal of Chemical Physics
|
June 24, 2010
A gradient-directed Monte Carlo method for global optimization in a discrete space: application to protein sequence design and folding
Xiangqian Hu, David N Beratan, Weitao Yang
The Journal of Chemical Physics
|
August 22, 2008
A gradient-directed Monte Carlo approach to molecular design
Xiangqian Hu, David N Beratan, Weitao Yang
Journal of Computational Chemistry
|
February 3, 2012
Exploring biological electron transfer pathway dynamics with the Pathways plugin for VMD
Ilya A Balabin, Xiangqian Hu, David N Beratan
Journal of Chemical Theory and Computation
|
July 30, 2013
Noncovalent Interaction Analysis in Fluctuating Environments
Pan Wu, Robin Chaudret, Xiangqian Hu, et al.
The Journal of Chemical Physics
|
May 2, 2009
Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method
Xiancheng Zeng, Hao Hu, Xiangqian Hu, et al.
The Journal of Physical Chemistry. A
|
January 5, 2007
Designing molecules with optimal properties using the linear combination of atomic potentials approach in an AM1 semiempirical framework
Shahar Keinan, Xiangqian Hu, David N Beratan, et al.
Journal of the American Chemical Society
|
March 9, 2006
Designing molecules by optimizing potentials
Mingliang Wang, Xiangqian Hu, David N Beratan, et al.
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of 4