Reactive domains of energy hypersurfaces and the stability of minimum energy reaction paths Paul G. Mezey Original Investigations Pages: 95 - 111
Reactive domains of energy hypersurfaces and the stability of minimum energy reaction paths Paul G. Mezey Original Investigations Pages: 95 - 111
Electronic states of the NiCu molecule determined byab initio Hartree-Fock and configuration interaction methods Irene Shim Original Investigations Pages: 113 - 122
Electronic states of the NiCu molecule determined byab initio Hartree-Fock and configuration interaction methods Irene Shim Original Investigations Pages: 113 - 122
The Virtual Charge Model of a polarizable medium as a basis for Hückel calculations with the ω-technique Raymond Constanciel Original Investigations Pages: 123 - 130
The Virtual Charge Model of a polarizable medium as a basis for Hückel calculations with the ω-technique Raymond Constanciel Original Investigations Pages: 123 - 130
A re-examination of the justification of neglect of differential overlap approximations in terms of a power series expansion inS Graham S. ChandlerFrederik E. Grader Original Investigations Pages: 131 - 144
A re-examination of the justification of neglect of differential overlap approximations in terms of a power series expansion inS Graham S. ChandlerFrederik E. Grader Original Investigations Pages: 131 - 144
Semiempirical studies of core-electron binding energy shifts Zvonimir B. MaksićKrešimir Rupnik Original Investigations Pages: 145 - 156
Semiempirical studies of core-electron binding energy shifts Zvonimir B. MaksićKrešimir Rupnik Original Investigations Pages: 145 - 156
Charge distributions on polyatomic ions, and their relationships with cohesive energies of ionic crystals Marcus F. C. Ladd Original Investigations Pages: 157 - 164
Charge distributions on polyatomic ions, and their relationships with cohesive energies of ionic crystals Marcus F. C. Ladd Original Investigations Pages: 157 - 164
Comment on the recent controversy over the theory of chirality functions C. Alden Mead Short Communications Pages: 165 - 168
Comment on the recent controversy over the theory of chirality functions C. Alden Mead Short Communications Pages: 165 - 168
A further study on the CNDO/2 structures of water dimer Chen Zhixing Short Communications Pages: 169 - 170
A further study on the CNDO/2 structures of water dimer Chen Zhixing Short Communications Pages: 169 - 170
Franck-Condon matrix elements for bound-continuum vibrational transitions calculated by numerical integration and basis set expansion techniques Joachim RömeltRalf Runau Short Communications Pages: 171 - 177
Franck-Condon matrix elements for bound-continuum vibrational transitions calculated by numerical integration and basis set expansion techniques Joachim RömeltRalf Runau Short Communications Pages: 171 - 177
