Results 261 to 270 of about 924,604 (294)

Determination of Extremely Localized Molecular Orbitals and Their Application to Quantum Mechanics/Molecular Mechanics Methods and to the Study of Intramolecular Hydrogen Bonding

Computational and Theoretical Chemistry, 2003
Maurizio Sironi, Arianna Fornili, Mario Raimondi   +2 more
exaly  

Orbital mechanics

2003
openaire   +1 more source

Calculation of Wave-Functions With Frozen Orbitals in Mixed Quantum Mechanics/Molecular Mechanics Methods. Part I. Application of the Huzinaga Equation

Journal of Computational Chemistry, 2013
György G Ferenczy
exaly  

Orbital Mechanics

2016
openaire   +1 more source

Orbital Mechanics

2002
openaire   +1 more source

Calculation of Wave-Functions With Frozen Orbitals in Mixed Quantum Mechanics/Molecular Mechanics Methods. II. Application of the Local Basis Equation

Journal of Computational Chemistry, 2013
György G Ferenczy
exaly  

Orbital Mechanics

1998
openaire   +1 more source

Localized Molecular Orbitals: A Bridge Between Chemical Intuition and Molecular Quantum Mechanics

Topics in Current Chemistry, 1971
Klaus Ruedenberg
exaly  

Orbital mechanics

openaire   +2 more sources

Orbital Mechanics

2018
openaire   +1 more source