Showing results (4401-4410 of 5,978) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|February 2, 2022
Chemical repair of damaged leucine and tryptophane by thiophenols at close to diffusion-controlled rates: Mechanisms and kineticsMirzam Carreon-Gonzalez, Leonardo Muñoz-Rugeles, Annik Vivier-Bunge, et al.Journal of Computational Chemistry|April 11, 2022
Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactionsFelipe S S Schneider, Giovanni F CaramoriJournal of Computational Chemistry|March 23, 2022
Valence energy correction for electron reactive force fieldSamuel Bertolini, Timo JacobJournal of Computational Chemistry|June 22, 2022
Calculation of absolute Raman scattering cross-sections using vibrational self-consistent field/vibrational configuration interaction wave functionsJhonatas R Carvalho, Luciano N VidalJournal of Computational Chemistry|November 16, 2022
FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximationJavier Cerezo, Fabrizio SantoroJournal of Computational Chemistry|July 11, 2023
Analytical quadrature method using recurrence formulas for two-electron integrals of frequency-dependent Breit interactionNobuki Inoue, Takahito NakajimaJournal of Computational Chemistry|September 25, 2004
Interconversion behavior of the C-H bond in the CH4+ radical cation: ab initio molecular dynamics studyYasuhito Ohta, Koji OhtaJournal of Computational Chemistry|April 5, 2005
Stability of (C60)2 and epoxide dimers, (C60)2ON, and their anionsFrank J OwensJournal of Computational Chemistry|March 12, 2005
A sparse algorithm for the evaluation of the local energy in quantum Monte CarloAlán Aspuru-Guzik, Romelia Salomón-Ferrer, Brian Austin, et al.Journal of Computational Chemistry|September 8, 2005
Theoretical studies on nonlinear optical properties of formaldehyde oligomers by ab initio and density functional theory methodsHui-Yin Wu, Ajay Chaudhari, Shyi-Long LeePageof 598