Showing results (3621-3630 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|May 22, 2003
Complete graph conjecture for inner-core electrons: homogeneous index caseLionello PoglianiJournal of Computational Chemistry|May 22, 2003
Localized basis orbitals: minimization of 2-electron integrals array and orthonormality of basis setN A Anikin, V L Bugaenko, M V Frash, et al.Journal of Computational Chemistry|May 22, 2003
Optimized Slater-type basis sets for the elements 1-118E Van Lenthe, E J BaerendsJournal of Computational Chemistry|May 24, 2012
Computational design of improved two-photon active caging compounds based on nitrodibenzofuranAndreas Dreuw, Matthias A Polkehn, Robert Binder, et al.Journal of Computational Chemistry|May 24, 2012
Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: a basis set and correlation studyHanna Kjaer, Monia R Nielsen, Gabriel I Pagola, et al.Journal of Computational Chemistry|May 24, 2012
Prediction of the properties and thermodynamics of formation for energetic nitrogen-rich salts composed of triaminoguanidinium cation and 5-nitroiminotetrazolate-based anionsWeihua Zhu, Qingli Yan, Jinshan Li, et al.Journal of Computational Chemistry|May 25, 2012
Density functional theory study of high-pressure effect on crystalline 4,4',6,6'-tetra(azido)hydrazo-1,3,5-triazineFang Wang, Hong-Chen Du, Hui Liu, et al.Journal of Computational Chemistry|March 20, 2013
Multireference calculations for ring inversion and double bond shifting in cyclooctatetraeneAxel Schild, Beate PaulusJournal of Computational Chemistry|March 26, 2013
Free-energy differences between states with different conformational ensemblesJose Antonio Garate, Chris OostenbrinkJournal of Computational Chemistry|April 13, 2012
Effect of interprotein polarization on protein-protein binding energyChang G Ji, John Z H ZhangPageof 598