Results 151 to 160 of about 36,506 (166)

Topological Control of Molecular Orbital Theory: A Comparison of µ2-Scaled Hückel Theory and Restricted Hartree-Fock Theory for Boranes and Carboranes

, 1994
R. Rousseau, Stephen Lee
semanticscholar   +1 more source

Orbital-dependent density functionals: Theory and applications

Reviews of Modern Physics, 2008
Stephan Kümmel, Leeor Kronik
exaly  

Nuclear orbital plus molecular orbital theory: Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation

International Journal of Quantum Chemistry, 2007
Hiromi Nakai
exaly  

The Lethal Phenotype of Cancer: The Molecular Basis of Death Due to Malignancy

Ca-A Cancer Journal for Clinicians, 2007
Arul M Chinnaiyan, Kenneth J Pienta, Brent K Hollenbeck   +2 more
exaly  

New Developments in Molecular Orbital Theory

Reviews of Modern Physics, 1951
exaly  

Introductory Molecular Orbital Theory: An Honors General Chemistry Computational Lab as Implemented Using Three-Dimensional Modeling Software.

, 2012
K. Ruddick, A. Parrill, R. L. Petersen
semanticscholar   +1 more source

Origin of molecular conformational stability: Perspectives from molecular orbital interactions and density functional reactivity theory

Journal of Chemical Physics, 2015
Shubin Liu
exaly  

Linear scaling second-order Moller–Plesset theory in the atomic orbital basis for large molecular systems

Journal of Chemical Physics, 1999
Gustavo E Scuseria
exaly  

The activation strain model and molecular orbital theory

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2015
Lando P Wolters, Friedrich Matthias Bickelhaupt   +1 more
exaly  

Beyond fluorodeoxyglucose: Molecular imaging of cancer in precision medicine

Ca-A Cancer Journal for Clinicians
Malik E Juweid, Soud Al-qasem, Fadlo R Khuri   +2 more
exaly