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Accounts of Chemical Research|May 10, 2014
Efficient and accurate fragmentation methodsSpencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, et al.Physical Chemistry Chemical Physics : PCCP|October 4, 2023
Analysis of the bonding in tetrahedrane and phosphorus-substituted tetrahedranesDaniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S GordonJournal of Chemical Theory and Computation|June 21, 2023
Enabling Fortran Standard Parallelism in GAMESS for Accelerated Quantum Chemistry CalculationsMelisa Alkan, Buu Q Pham, Jeff R Hammond, et al.Journal of Chemical Theory and Computation|May 20, 2026
Hierarchical Truncations for Many-Body Expansion PotentialsBryce M Westheimer, Mark S Gordon, Emilie B Guidez, et al.The Journal of Chemical Physics|March 23, 2022
Rotational and translational diffusion of liquid n-hexane: EFP-based molecular dynamics analysisYu Lim Kim, Mark S Gordon, Andres Garcia, et al.The Journal of Physical Chemistry. A|September 17, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave FunctionsAaron C West, Michael W Schmidt, Mark S Gordon, et al.Journal of Computational Chemistry|March 8, 2007
A parallel distributed data CPHF algorithm for analytic HessiansYuri Alexeev, Michael W Schmidt, Theresa L Windus, et al.The Journal of Chemical Physics|January 28, 2006
A systematic multireference perturbation-theory study of the low-lying states of SiC3Jamie M Rintelman, Mark S Gordon, Graham D Fletcher, et al.The Journal of Physical Chemistry. A|January 31, 2017
Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their InteractionsAaron C West, Michael W Schmidt, Mark S Gordon, et al.The Journal of Physical Chemistry. A|March 31, 2018
Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test SetShinae Kim, Chelsea M Kaliszewski, Emilie B Guidez, et al.Pageof 25