A hydrogen rearrangement of formamidine and the solvent effects thereupon K. YamashitaM. KaminoyamaK. Fukui Original Investigations Pages: 303 - 312
An improved LCAO interpolation scheme for energy band structures. Application to four compounds (ScN, ScP, TiN, ZrN) crystallizing in the sodium chloride structure Michael DorrerRenate EiblerAdolf Neckel Original Investigations Pages: 313 - 325
The effect of solvent on the internal rotation of formamide: A CNDO/2-solvaton method study Anthony J. DubenStanislav Miertus Original Investigations Pages: 327 - 337
A method for molecular correlation energy calculations. Application to the determination of dissociation energies of diatomic and polyatomic molecules Jacques LievinJacques BreuletGeorges Verhaegen Original Investigations Pages: 339 - 353
Conformation analysis of formic acid. Extended basis set SCF and CEPA calculations Constantin ZirzReinhart Ahlrichs Original Investigations Pages: 355 - 361
Vibrational excitation of molecules in a lattice due to shock induced molecular deformation Frank J. Owens Original Investigations Pages: 363 - 368
Hartree-fock calculations for excited rydberg states Martin Jungen Original Investigations Pages: 369 - 377
The structure of the active oxygen complex of catalase: Model calculations Alain StrichAlain Veillard Original Investigations Pages: 379 - 383