Results 341 to 350 of about 4,874,213 (359)

Molecular orbitals

2007
openaire   +1 more source

Molecular Orbital View of Chemisorbed Carbon Monoxide

, 1964
G. Blyholder
semanticscholar   +1 more source

Symmetry and Molecular Orbitals

2013
openaire   +1 more source

Molecular Orbital Calculation

2022
openaire   +1 more source

Molecular geometry, conformational, vibrational spectroscopic, molecular orbital and Mulliken charge analysis of 2-acetoxybenzoic acid.

Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, 2014
P. Govindasamy, S. Gunasekaran, S. Srinivasan   +2 more
semanticscholar   +1 more source

Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements

, 1980
M. Gordon, J. Binkley, J. Pople, W. Pietro, W. Hehre   +4 more
semanticscholar   +1 more source

Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O

, 1971
K. Morokuma
semanticscholar   +1 more source

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies

, 2003
C. Zhan, J. Nichols, D. Dixon
semanticscholar   +1 more source

Approximate Self‐Consistent Molecular‐Orbital Theory. V. Intermediate Neglect of Differential Overlap

, 1967
J. Pople, D. Beveridge, P. Dobosh
semanticscholar   +1 more source

Molecular orbital theory for organic chemists

, 1961
A. Streitwieser
semanticscholar   +1 more source