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Theoretical characterization and many-body expansion analysis of BF~3, BCl~3, AlF~3 and AlCl~3 interactions
British Library Online Contents | 1995| -
Stability of small fullerenes C~n (n = 36, 40 and 60): A topological and molecular orbital approach
British Library Online Contents | 1995| -
Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field
National licenceSpringer Verlag | 1996| -
Electric properties of the water molecule in 1A1, 1B1, and 3B1 electronic states: Refined CASSCF and CASPT2 calculations
National licenceSpringer Verlag | 1996| -
AM1 study of Wolff and 1,2-hydrogen shift rearrangements of β-oxy-α-Diazo carbonyl compounds
National licenceSpringer Verlag | 1996| -
Extension of the MNDO formalism tod orbitals: Integral approximations and preliminary numerical results
Free accessSpringer Verlag | 1996| -
A theoretical study on the ionization of tetrafluoroethylene with analysis of vibrational structure of the photoelectron spectra
National licenceSpringer Verlag | 1996| -
Kinetic energy analysis of atomic multiplets
National licenceIII.f m configurationsSpringer Verlag | 1996| -
Topology and least motion
National licenceA study of the barbaralyl cationSpringer Verlag | 1996| -
A model study of intramolecular energy transfer in polyatomic molecular reactions
British Library Online Contents | 1996| -
Isostationary functions for multimode and multilevel Jahn-Teller systems
British Library Online Contents | 1996| -
Core and valence electrons in atoms and ions: configuration interaction calculations
British Library Online Contents | 1996| -
A theoretical evaluation of steric and electronic effects on the structure of [OsO~4(NR~3)] (NR~3 = bulky chiral alkaloid derivative) complexes
British Library Online Contents | 1996| -
The MIDI! basis set for quantum mechanical calculations of molecular geometries and partial charges
British Library Online Contents | 1996| -
Effect of crystal potential on dynamic polarizability of negative ions
British Library Online Contents | 1996| -
MCSCF reaction-path energetics and thermal rate-constants for the reaction of3NH with H2
National licenceSpringer Verlag | 1994| -
New algorithm for nonorthogonalab initio valence-bond calculations
National licenceI. New strategy and basic expressionsSpringer Verlag | 1994| -
Valence bond corrected single reference coupled cluster approach
National licenceI. General formalismSpringer Verlag | 1994|
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