Simple electrostatic models for vibrating unsymmetrical triatomic molecules and triatomic ions José Luis GázquezN. K. RayRobert G. Parr Original Investigations Pages: 1 - 11
Alternative paths in the ring opening of oxadiaziridine: The diimide N-oxide versus the oxodiimide rearrangement Renzo CimiragliaMaurizio PersicoJacopo Tomasi Original Investigations Pages: 13 - 23
A molecular orbital approach to the fragmentation of the acetaldehyde cation radical Koichi YamashitaShigeki KatoKenichi Fukui Original Investigations Pages: 25 - 35
Calculation of some electronic excited states of formaldehyde Renato ColleRaffaele MontagnaniOriano Salvetti Original Investigations Pages: 37 - 44
Atomic charges in the multiple scattering molecular orbital method Sven Larsson Original Investigations Pages: 45 - 53
Ab initio calculation of the band structure of some boron-nitrogen polymers D. R. ArmstrongJ. JamiesonP. G. Perkins Original Investigations Pages: 55 - 65
A steepest-descent method for the calculation of localized orbitals and pseudoorbitals Hermann StollGerhard WagenblastHeinzwerner Preuss Original Investigations Pages: 67 - 76
Molecular orbital calculations based on linear combinations of fragment orbitals Martin Klessinger Original Investigations Pages: 77 - 92