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D R Salahub

Showing results (1-10 of 9) with videos related to

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Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|July 20, 2001
Conformational dynamics of an alanine dipeptide analog: an ab initio molecular dynamics studyD Wei, H Guo, D R Salahub
The Journal of Physical Chemistry Letters|July 27, 2023
Quantum Machine Learning in Materials Prediction: A Case Study on ABO<sub>3</sub> Perovskite StructuresMosayeb Naseri, Sergey Gusarov, D R Salahub
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|January 1, 1997
Towards a density functional treatment of chemical reactions in complex mediaD R Berard, D Wei, D R Salahub
Physical Chemistry Chemical Physics : PCCP|April 7, 2016
Ni on the CeO₂(110) and (100) surfaces: adsorption vs. substitution effects on the electronic and geometric structures and oxygen vacanciesW Q Li, S Goverapet Srinivasan, D R Salahub, et al.
The Journal of Physical Chemistry. B|November 9, 2010
Structure, dynamics, and energetics of lysobisphosphatidic acid (LBPA) isomersA Goursot, T Mineva, C Bissig, et al.
Journal of Computational Chemistry|May 22, 2003
A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleftS Sirois, E I Proynov, J-F Truchon, et al.
Physical Chemistry Chemical Physics : PCCP|December 4, 2012
Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD studyA Goursot, T Mineva, J M Vásquez-Pérez, et al.
Physical Chemistry Chemical Physics : PCCP|December 13, 2023
Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculationsMosayeb Naseri, Shirin Amirian, Mehrdad Faraji, et al.
The Journal of Physical Chemistry. B|September 27, 2008
Density functional theory-based conformational analysis of a phospholipid molecule (dimyristoyl phosphatidylcholine)S Krishnamurty, M Stefanov, T Mineva, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|July 20, 2001
Conformational dynamics of an alanine dipeptide analog: an ab initio molecular dynamics studyD Wei, H Guo, D R Salahub
The Journal of Physical Chemistry Letters|July 27, 2023
Quantum Machine Learning in Materials Prediction: A Case Study on ABO<sub>3</sub> Perovskite StructuresMosayeb Naseri, Sergey Gusarov, D R Salahub
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|January 1, 1997
Towards a density functional treatment of chemical reactions in complex mediaD R Berard, D Wei, D R Salahub
Physical Chemistry Chemical Physics : PCCP|April 7, 2016
Ni on the CeO₂(110) and (100) surfaces: adsorption vs. substitution effects on the electronic and geometric structures and oxygen vacanciesW Q Li, S Goverapet Srinivasan, D R Salahub, et al.
The Journal of Physical Chemistry. B|November 9, 2010
Structure, dynamics, and energetics of lysobisphosphatidic acid (LBPA) isomersA Goursot, T Mineva, C Bissig, et al.
Journal of Computational Chemistry|May 22, 2003
A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleftS Sirois, E I Proynov, J-F Truchon, et al.
Physical Chemistry Chemical Physics : PCCP|December 4, 2012
Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD studyA Goursot, T Mineva, J M Vásquez-Pérez, et al.
Physical Chemistry Chemical Physics : PCCP|December 13, 2023
Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculationsMosayeb Naseri, Shirin Amirian, Mehrdad Faraji, et al.
The Journal of Physical Chemistry. B|September 27, 2008
Density functional theory-based conformational analysis of a phospholipid molecule (dimyristoyl phosphatidylcholine)S Krishnamurty, M Stefanov, T Mineva, et al.
Pageof 1