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Head-Gordon

Showing results (231-240 of 649) with videos related to

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Chimia|May 4, 2018
Understanding Non-Covalent Interactions: Correlated Energy Decomposition Analysis and Applications to Halogen BondingJerome F Gonthier, Jonathan Thirman, Martin Head-Gordon
Journal of Chemical Theory and Computation|January 24, 2022
Development of a Many-Body Force Field for Aqueous Alkali Metal and Halogen Ions: An Energy Decomposition Analysis Guided ApproachAkshaya Kumar Das, Meili Liu, Teresa Head-Gordon
The Journal of Chemical Physics|January 22, 2008
The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfacesJoseph E Subotnik, Alex Sodt, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America|March 12, 2010
Is ambient water inhomogeneous on the nanometer-length scale?A K Soper, J Teixeira, T Head-Gordon
Journal of Chemical Theory and Computation|November 19, 2015
A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong CorrelationsNicholas J Mayhall, Matthew Goldey, Martin Head-Gordon
Journal of Chemical Theory and Computation|December 3, 2015
Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation TheoryRohini C Lochan, Yihan Shao, Martin Head-Gordon
The Journal of Chemical Physics|December 3, 2008
Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition statesAnthony Goodrow, Alexis T Bell, Martin Head-Gordon
The Journal of Chemical Physics|March 5, 2009
The perfect quadruples model for electron correlation in a valence active spaceJohn A Parkhill, Keith Lawler, Martin Head-Gordon
The Journal of Chemical Physics|February 20, 2021
Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systemsDiptarka Hait, Yu Hsuan Liang, Martin Head-Gordon
The Journal of Chemical Physics|May 9, 2025
The conundrum of diffuse basis sets: A blessing for accuracy yet a curse for sparsityHenryk Laqua, Linus Bjarne Dittmer, Martin Head-Gordon
Pageof 65

Showing results (231-240 of 649) with videos related to

Sort By:
Pageof 65
Chimia|May 4, 2018
Understanding Non-Covalent Interactions: Correlated Energy Decomposition Analysis and Applications to Halogen BondingJerome F Gonthier, Jonathan Thirman, Martin Head-Gordon
Journal of Chemical Theory and Computation|January 24, 2022
Development of a Many-Body Force Field for Aqueous Alkali Metal and Halogen Ions: An Energy Decomposition Analysis Guided ApproachAkshaya Kumar Das, Meili Liu, Teresa Head-Gordon
The Journal of Chemical Physics|January 22, 2008
The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfacesJoseph E Subotnik, Alex Sodt, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America|March 12, 2010
Is ambient water inhomogeneous on the nanometer-length scale?A K Soper, J Teixeira, T Head-Gordon
Journal of Chemical Theory and Computation|November 19, 2015
A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong CorrelationsNicholas J Mayhall, Matthew Goldey, Martin Head-Gordon
Journal of Chemical Theory and Computation|December 3, 2015
Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation TheoryRohini C Lochan, Yihan Shao, Martin Head-Gordon
The Journal of Chemical Physics|December 3, 2008
Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition statesAnthony Goodrow, Alexis T Bell, Martin Head-Gordon
The Journal of Chemical Physics|March 5, 2009
The perfect quadruples model for electron correlation in a valence active spaceJohn A Parkhill, Keith Lawler, Martin Head-Gordon
The Journal of Chemical Physics|February 20, 2021
Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systemsDiptarka Hait, Yu Hsuan Liang, Martin Head-Gordon
The Journal of Chemical Physics|May 9, 2025
The conundrum of diffuse basis sets: A blessing for accuracy yet a curse for sparsityHenryk Laqua, Linus Bjarne Dittmer, Martin Head-Gordon
Pageof 65