Showing results (81-90 of 91) with videos related to
Sort By:
Pageof 10
The Journal of Physical Chemistry. A|January 28, 2009
Average local ionization energies in the Hartree-Fock and Kohn-Sham theoriesFelipe A Bulat, Mel Levy, Peter PolitzerJournal of Computational Chemistry|September 2, 2025
Electrostatic Potentials at Nuclei for Atoms From Z = 1 to Z = 54 Using the aHGBSP1-5 Basis SetMilan R Milovanović, Jane S MurrayJournal of Molecular Modeling|June 11, 2026
Molecular archaeology: Searching for buried connections between microscopic and macroscopic properties of the halomethanesPaul G Seybold, Jane S MurrayChemical Reviews|November 3, 2025
A Computational Renaissance in High-Energy Density Materials (HEDMs) ResearchHaixiang Gao, Jane S Murray, Jean'ne M ShreeveChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 13, 2025
No Boundaries and Naturally-Defined Boundaries Obtained via the Electrostatic PotentialGoedele Roos, Danny E P Vanpoucke, Jane S MurrayJournal of Molecular Modeling|December 21, 2017
Anesthetic activity and the electrostatic potential (revisited)Zenaida Peralta-Inga Shields, Paul G Seybold, Jane S MurrayJournal of the American Society for Mass Spectrometry|December 18, 2002
Evaluation of the role of multiple hydrogen bonding in offering stability to negative ion adducts in electrospray mass spectrometryYang Cai, Monica C Concha, Jane S Murray, et al.The Journal of Physical Chemistry. A|January 23, 2009
Computational prediction of antibody binding sites on tetracycline antibiotics: electrostatic potentials and average local ionization energies on molecular surfacesPankaj Kulshrestha, N Sukumar, Jane S Murray, et al.The Journal of Chemical Physics|September 18, 2025
Quantifying water hydrogen bonding from the surface electrostatic potential at varying iso-density contoursGoedele Roos, Danny E P Vanpoucke, Ralf Blossey, et al.Journal of Molecular Modeling|December 1, 2012
The average local ionization energy as a tool for identifying reactive sites on defect-containing model graphene systemsJane S Murray, Zenaida Peralta-Inga Shields, Pat Lane, et al.Pageof 10