Showing results (231-240 of 248) with videos related to
Sort By:
Pageof 25
Inorganic Chemistry|August 10, 2011
On the formation of "hypercoordinated" uranyl complexesGeorge Schoendorff, Wibe A de Jong, Michael J Van Stipdonk, et al.Physical Chemistry Chemical Physics : PCCP|September 29, 2005
Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with oxygenRosa Becerra, Sarah-Jane Bowes, J Steven Ogden, et al.The Journal of Physical Chemistry. A|October 13, 2009
Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistryYifat Miller, Jennie L Thomas, Daniel D Kemp, et al.Inorganic Chemistry|November 14, 2012
Roles of acetone and diacetone alcohol in coordination and dissociation reactions of uranyl complexesDaniel Rios, George Schoendorff, Michael J Van Stipdonk, et al.Journal of the American Chemical Society|January 20, 2005
Where does the planar-to-nonplanar turnover occur in small gold clusters?Ryan M Olson, Sergey Varganov, Mark S Gordon, et al.Journal of Chemical Theory and Computation|April 9, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima AlgorithmMegan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.Journal of Chemical Theory and Computation|February 26, 2016
Importance of Three-Body Interactions in Molecular Dynamics Simulations of Water Demonstrated with the Fragment Molecular Orbital MethodSpencer R Pruitt, Hiroya Nakata, Takeshi Nagata, et al.Inorganic Chemistry|February 18, 2016
Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide ExtractantsBilly W McCann, Nuwan De Silva, Theresa L Windus, et al.The Journal of Chemical Physics|April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation methodBuu Q Pham, Laura Carrington, Ananta Tiwari, et al.The Journal of Physical Chemistry. B|August 14, 2013
Ab initio study of molecular interactions in cellulose IαAjitha Devarajan, Sergiy Markutsya, Monica H Lamm, et al.Pageof 25