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Thomas A Manz

Showing results (1-10 of 27) with videos related to

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Journal of Computational Chemistry|December 6, 2012
Comment on "Extending Hirshfeld-I to bulk and periodic materials"Thomas A Manz
RSC Advances|November 16, 2022
Apples to apples comparison of standardized to unstandardized principal component analysis of methods that assign partial atomic charges in moleculesThomas A Manz
RSC Advances|March 10, 2025
Dihedral-torsion model potentials that include angle-damping factorsThomas A Manz
RSC Advances|May 6, 2022
Seven confluence principles: a case study of standardized statistical analysis for 26 methods that assign net atomic charges in moleculesThomas A Manz
RSC Advances|October 23, 2024
A formally exact theory to construct nonreactive forcefields using linear regression to optimize bonded parametersThomas A Manz
RSC Advances|May 6, 2022
Identifying misbonded atoms in the 2019 CoRE metal-organic framework databaseTaoyi Chen, Thomas A Manz
RSC Advances|May 9, 2022
New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 2. Linear-scaling computational algorithms and parallelizationThomas A Manz, Taoyi Chen
RSC Advances|May 6, 2022
Bond orders of the diatomic moleculesTaoyi Chen, Thomas A Manz
RSC Advances|May 11, 2022
A collection of forcefield precursors for metal-organic frameworksTaoyi Chen, Thomas A Manz
Journal of Chemical Theory and Computation|November 24, 2015
Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic MaterialsThomas A Manz, David S Sholl
Pageof 3

Showing results (1-10 of 27) with videos related to

Sort By:
Pageof 3
Journal of Computational Chemistry|December 6, 2012
Comment on "Extending Hirshfeld-I to bulk and periodic materials"Thomas A Manz
RSC Advances|November 16, 2022
Apples to apples comparison of standardized to unstandardized principal component analysis of methods that assign partial atomic charges in moleculesThomas A Manz
RSC Advances|March 10, 2025
Dihedral-torsion model potentials that include angle-damping factorsThomas A Manz
RSC Advances|May 6, 2022
Seven confluence principles: a case study of standardized statistical analysis for 26 methods that assign net atomic charges in moleculesThomas A Manz
RSC Advances|October 23, 2024
A formally exact theory to construct nonreactive forcefields using linear regression to optimize bonded parametersThomas A Manz
RSC Advances|May 6, 2022
Identifying misbonded atoms in the 2019 CoRE metal-organic framework databaseTaoyi Chen, Thomas A Manz
RSC Advances|May 9, 2022
New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 2. Linear-scaling computational algorithms and parallelizationThomas A Manz, Taoyi Chen
RSC Advances|May 6, 2022
Bond orders of the diatomic moleculesTaoyi Chen, Thomas A Manz
RSC Advances|May 11, 2022
A collection of forcefield precursors for metal-organic frameworksTaoyi Chen, Thomas A Manz
Journal of Chemical Theory and Computation|November 24, 2015
Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic MaterialsThomas A Manz, David S Sholl
Pageof 3