The influence of basis set on the ab initio prediction of internal rotation barrier heights in ethene thiol Christopher PlantJames E. BoggsGwilym A. Williams OriginalPaper Pages: 3 - 8
The electronic structure and conformation of dimethylaminobenzonitrile Sherif A. KafafiJohn P. LaFeminaGregory K. Schenter OriginalPaper Pages: 9 - 14
An ab initio structural and vibrational analysis of gauche,trans,trans- and gauche,cis,trans-hexa-1,3,5-trienes Yurii N. PanchenkoSergei V. KrasnoshchiokovCharles W. Bock OriginalPaper Pages: 15 - 26
Octa-1,3,5,7-tetraene: Ab initio geometries and vibrational spectra of some stable structures Yurii N. PanchenkoCharles W. Bock OriginalPaper Pages: 27 - 35
An investigation of the adiabatic potential energy surface of a Pseudo-Jahn-Teller complex using X-ray diffraction Charles J. Simmons OriginalPaper Pages: 37 - 52
Molecular enthalpies: 1. Ground-state thermodynamic and computed enthalpies of the norbornadiene cycle D. W. RogersF. J. McLaffertyYeping Zhao OriginalPaper Pages: 53 - 58
Guest control of diol inclusion host lattices Alison T. UngRoger BishopMarcia L. Scudder Communication Pages: 59 - 61
Hydrogen-bonding contributions to the lattice energy of salts for second harmonic generation Christer B. AakeröyKenneth R. SeddonMaurice Leslie Communication Pages: 63 - 65