Showing results (1-10 of 75) with videos related to
Sort By:
Pageof 8
Environmental Science & Technology|May 2, 2006
Molecular simulations of benzene and PAH interactions with sootJames D KubickiThe Journal of Physical Chemistry. B|July 21, 2006
Mechanism of hydroxyl radical generation from a silica surface: molecular orbital calculationsJayakumar Narayanasamy, James D KubickiThe Journal of Physical Chemistry. A|April 2, 2020
Adsorption of Organic Acids and Phosphate to an Iron (Oxyhydr)oxide Mineral: A Combined Experimental and Density Functional Theory StudyTsutomu Ohno, James D KubickiJournal of Chemical Information and Modeling|November 6, 2019
Evaluating Computational Chemistry Methods for Isotopic Fractionation between CO2(g) and H2O(g)Jason D Boettger, James D KubickiLangmuir : the ACS Journal of Surfaces and Colloids|October 6, 2004
Molecular orbital theory study on surface complex structures of phosphates to iron hydroxides: calculation of vibrational frequencies and adsorption energiesKideok D Kwon, James D KubickiJournal of Computational Chemistry|August 6, 2009
Interaction energy and the shift in OH stretch frequency on hydrogen bonding for the H2O --> H2O, CH3OH --> H2O, and H2O --> CH3OH dimersRichard Kramer Campen, James D KubickiLangmuir : the ACS Journal of Surfaces and Colloids|December 10, 2008
Quantum mechanical investigations of heme structure and vibrational spectra: effects of conformation, oxidation state, and electric fieldAlexander V Mitin, James D KubickiScientific Reports|November 27, 2025
An SN2 reaction mechanism for hydrolysis of siloxane linkages and the implications for dissolution of quartzHeath D Watts, James D KubickiThe Journal of Physical Chemistry. B|August 3, 2012
Adsorption of nitrate on kaolinite surfaces: a theoretical studyLorena Tribe, Ryan Hinrichs, James D KubickiEnvironmental Science & Technology|December 31, 2014
Plagioclase dissolution during CO₂-SO₂ cosequestration: effects of sulfateYujia Min, James D Kubicki, Young-Shin JunPageof 8