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Molecular Pharmaceutics
|
May 13, 2009
Modeling free energies of solvation in olive oil
Adam C Chamberlin, David G Levitt, Christopher J Cramer, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2011
The solvation, partitioning, hydrogen bonding, and dimerization of nucleotide bases: a multifaceted challenge for quantum chemistry
Raphael F Ribeiro, Aleksandr V Marenich, Christopher J Cramer, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Solvent Dependence of (14)N Nuclear Magnetic Resonance Chemical Shielding Constants as a Test of the Accuracy of the Computed Polarization of Solute Electron Densities by the Solvent
Raphael F Ribeiro, Aleksandr V Marenich, Christopher J Cramer, et al.
The Journal of Physical Chemistry. A
|
August 18, 2006
Early excited state dynamics of 6-styryl-substituted pyrylium salts exhibiting dual fluorescence
Anatolio Pigliucci, Peter Nikolov, Abdul Rehaman, et al.
The Journal of Physical Chemistry. A
|
August 2, 2008
VBSM: a solvation model based on valence bond theory
Peifeng Su, Wei Wu, Casey P Kelly, et al.
Journal of the American Chemical Society
|
October 3, 2023
Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-Decker Dimeric Cr(II) Complex
Arup Sarkar, Matthew R Hermes, Christopher J Cramer, et al.
The Journal of Physical Chemistry. A
|
April 23, 2009
Consistent van der Waals radii for the whole main group
Manjeera Mantina, Adam C Chamberlin, Rosendo Valero, et al.
The Journal of Physical Chemistry. A
|
January 28, 2017
Quantum Chemical Characterization of Single Molecule Magnets Based on Uranium
Mariano Spivak, Konstantinos D Vogiatzis, Christopher J Cramer, et al.
Journal of Chemical Theory and Computation
|
April 26, 2021
Localized Active Space Pair-Density Functional Theory
Riddhish Pandharkar, Matthew R Hermes, Christopher J Cramer, et al.
Molecular Pharmaceutics
|
May 25, 2016
Prediction of (19)F NMR Chemical Shifts in Labeled Proteins: Computational Protocol and Case Study
William C Isley, Andrew K Urick, William C K Pomerantz, et al.
Page
of 28
Search research articles
Search
Showing results (111-120 of 271) with videos related to
Sort By:
Page
of 28
Molecular Pharmaceutics
|
May 13, 2009
Modeling free energies of solvation in olive oil
Adam C Chamberlin, David G Levitt, Christopher J Cramer, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2011
The solvation, partitioning, hydrogen bonding, and dimerization of nucleotide bases: a multifaceted challenge for quantum chemistry
Raphael F Ribeiro, Aleksandr V Marenich, Christopher J Cramer, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Solvent Dependence of (14)N Nuclear Magnetic Resonance Chemical Shielding Constants as a Test of the Accuracy of the Computed Polarization of Solute Electron Densities by the Solvent
Raphael F Ribeiro, Aleksandr V Marenich, Christopher J Cramer, et al.
The Journal of Physical Chemistry. A
|
August 18, 2006
Early excited state dynamics of 6-styryl-substituted pyrylium salts exhibiting dual fluorescence
Anatolio Pigliucci, Peter Nikolov, Abdul Rehaman, et al.
The Journal of Physical Chemistry. A
|
August 2, 2008
VBSM: a solvation model based on valence bond theory
Peifeng Su, Wei Wu, Casey P Kelly, et al.
Journal of the American Chemical Society
|
October 3, 2023
Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-Decker Dimeric Cr(II) Complex
Arup Sarkar, Matthew R Hermes, Christopher J Cramer, et al.
The Journal of Physical Chemistry. A
|
April 23, 2009
Consistent van der Waals radii for the whole main group
Manjeera Mantina, Adam C Chamberlin, Rosendo Valero, et al.
The Journal of Physical Chemistry. A
|
January 28, 2017
Quantum Chemical Characterization of Single Molecule Magnets Based on Uranium
Mariano Spivak, Konstantinos D Vogiatzis, Christopher J Cramer, et al.
Journal of Chemical Theory and Computation
|
April 26, 2021
Localized Active Space Pair-Density Functional Theory
Riddhish Pandharkar, Matthew R Hermes, Christopher J Cramer, et al.
Molecular Pharmaceutics
|
May 25, 2016
Prediction of (19)F NMR Chemical Shifts in Labeled Proteins: Computational Protocol and Case Study
William C Isley, Andrew K Urick, William C K Pomerantz, et al.
Page
of 28