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The Journal of Physical Chemistry. B
|
May 9, 2009
Hydration water dynamics near biological interfaces
Margaret E Johnson, Cecile Malardier-Jugroot, Rajesh K Murarka, et al.
The Journal of Chemical Physics
|
November 25, 2011
On the nature of electron correlation in C60
David Stück, Thomas A Baker, Paul Zimmerman, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 12, 2012
Examination of the hydrogen-bonding networks in small water clusters (n = 2-5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis
Erika A Cobar, Paul R Horn, Robert G Bergman, et al.
Journal of Chemical Theory and Computation
|
August 30, 2024
The Staggered Mesh Method: Accurate Exact Exchange Toward the Thermodynamic Limit for Solids
Stephen Jon Quiton, Hamlin Wu, Xin Xing, et al.
Journal of the American Chemical Society
|
November 12, 2024
UCBShift 2.0: Bridging the Gap from Backbone to Side Chain Protein Chemical Shift Prediction for Protein Structures
Aleksandra L Ptaszek, Jie Li, Robert Konrat, et al.
Science (New York, N.Y.)
|
September 10, 2005
Simulated quantum computation of molecular energies
Alán Aspuru-Guzik, Anthony D Dutoi, Peter J Love, et al.
The Journal of Chemical Physics
|
April 12, 2013
Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: theory and applications to intermolecular interactions involving radicals
Paul R Horn, Eric Jon Sundstrom, Thomas A Baker, et al.
The Journal of Chemical Physics
|
March 8, 2013
Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: theory and analysis of the water dimer
R Julian Azar, Paul Richard Horn, Eric Jon Sundstrom, et al.
Biophysical Journal
|
June 25, 2013
Differences in β-strand populations of monomeric Aβ40 and Aβ42
K Aurelia Ball, Aaron H Phillips, David E Wemmer, et al.
Journal of Computational Chemistry
|
March 13, 2003
Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks
Chandra Saravanan, Yihan Shao, Roi Baer, et al.
Page
of 63
Search research articles
Search
Showing results (401-410 of 626) with videos related to
Sort By:
Page
of 63
The Journal of Physical Chemistry. B
|
May 9, 2009
Hydration water dynamics near biological interfaces
Margaret E Johnson, Cecile Malardier-Jugroot, Rajesh K Murarka, et al.
The Journal of Chemical Physics
|
November 25, 2011
On the nature of electron correlation in C60
David Stück, Thomas A Baker, Paul Zimmerman, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 12, 2012
Examination of the hydrogen-bonding networks in small water clusters (n = 2-5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis
Erika A Cobar, Paul R Horn, Robert G Bergman, et al.
Journal of Chemical Theory and Computation
|
August 30, 2024
The Staggered Mesh Method: Accurate Exact Exchange Toward the Thermodynamic Limit for Solids
Stephen Jon Quiton, Hamlin Wu, Xin Xing, et al.
Journal of the American Chemical Society
|
November 12, 2024
UCBShift 2.0: Bridging the Gap from Backbone to Side Chain Protein Chemical Shift Prediction for Protein Structures
Aleksandra L Ptaszek, Jie Li, Robert Konrat, et al.
Science (New York, N.Y.)
|
September 10, 2005
Simulated quantum computation of molecular energies
Alán Aspuru-Guzik, Anthony D Dutoi, Peter J Love, et al.
The Journal of Chemical Physics
|
April 12, 2013
Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: theory and applications to intermolecular interactions involving radicals
Paul R Horn, Eric Jon Sundstrom, Thomas A Baker, et al.
The Journal of Chemical Physics
|
March 8, 2013
Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: theory and analysis of the water dimer
R Julian Azar, Paul Richard Horn, Eric Jon Sundstrom, et al.
Biophysical Journal
|
June 25, 2013
Differences in β-strand populations of monomeric Aβ40 and Aβ42
K Aurelia Ball, Aaron H Phillips, David E Wemmer, et al.
Journal of Computational Chemistry
|
March 13, 2003
Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks
Chandra Saravanan, Yihan Shao, Roi Baer, et al.
Page
of 63