Isotope effect in dihydrogen-bonded systems: application of the analytical energy gradient method in the nuclear orbital plus molecular orbital theory
Structural and electronic properties of Si[sub n], Si[sub n]+], and AlSi[sub n−1] (n=2–13) clusters: Theoretical investigation based on ab initio molecular orbital theory
New Developments in Molecular Orbital Theory
Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory
Molecular Orbital Theory
