Showing results (641-650 of 5,929) with videos related to
Sort By:
Pageof 593
Journal of Computational Chemistry|December 5, 2006
Why does electron sharing lead to covalent bonding? A variational analysisKlaus Ruedenberg, Michael W SchmidtJournal of Computational Chemistry|December 5, 2006
Toward a physical understanding of electron-sharing two-center bonds. I. General aspectsT Bitter, K Ruedenberg, W H E SchwarzJournal of Computational Chemistry|December 5, 2006
The role of radial nodes of atomic orbitals for chemical bonding and the periodic tableMartin KauppJournal of Computational Chemistry|January 18, 2007
Thermodynamic calculations for molecules with asymmetric internal rotors--application to 1,3-butadieneBryan M Wong, Sumathy RamanJournal of Computational Chemistry|February 24, 2004
Solvent effects on glycine II. Water-assisted tautomerizationBülent Balta, Viktorya AviyenteJournal of Computational Chemistry|February 24, 2004
Study of proton adsorption at heterogeneous oxide/electrolyte interface. Prediction of the surface potential using Monte Carlo simulations and 1-pK approachP Zarzycki, R Charmas, P SzabelskiJournal of Computational Chemistry|February 24, 2004
Nature of bonding in the sulfuryl groupD B Chesnut, L D QuinJournal of Computational Chemistry|September 25, 2004
A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2,3-dihydroxypyridineWeizhong Yan, Ying Xue, Hua Zhu, et al.Journal of Computational Chemistry|September 25, 2004
Quantitative structure-activity relationships for phenyl triazolinones of protoporphyrinogen oxidase inhibitors: a density functional theory studyJian Wan, Li Zhang, Guangfu YangJournal of Computational Chemistry|September 25, 2004
Hildebrand and Hansen solubility parameters from molecular dynamics with applications to electronic nose polymer sensorsM Belmares, M Blanco, W A Goddard, et al.Pageof 593