A test of the Hirshfeld definition of atomic charges and moments Ernest R. DavidsonSubhas Chakravorty OriginalPaper Pages: 319 - 330
Study on the dynamic resonance of the L-H-L system: H + ClH Ju Guan-ZhiBian Wen-ShengErnest R. Davidson OriginalPaper Pages: 331 - 338
Biorthogonal valence bond descriptions of electronic structure Joseph J. W. McDouall OriginalPaper Pages: 339 - 350
Medium-size polarized basis sets for high-level-correlated calculations of molecular electric properties Vladimir KellöAndrzej J. Sadlej OriginalPaper Pages: 351 - 366
Symmetry aspects of bonding in carbon clusters: the leapfrog transformation P. W. FowlerD. B. Redmond OriginalPaper Pages: 367 - 375
A new approach to theab initio energy of the homodesmic reaction for the resonance energy of benzene Fu-Ming TaoYuh-Kang Pan OriginalPaper Pages: 377 - 388
Electronic structure and optical spectra of transition metal complexes by the effective Hamiltonian method A. V. SoudackovA. L. TchougreeffI. A. Misurkin OriginalPaper Pages: 389 - 416
The evaluation of matrix elements for non-canonical Weyl tableau basis states adapted toU(n 1+n 2)⊃U(n 1)×U(n 2) Hai-lun Lin OriginalPaper Pages: 417 - 432
A global strategy for determining reaction paths László L. StachóMiklós I. Bán OriginalPaper Pages: 433 - 440
Computation of some new two-electron Gaussian integrals Wim KlopperRobert Röhse OriginalPaper Pages: 441 - 453
Direct computation of second-order SCF properties of large molecules on workstation computers with an application to large carbon clusters M. HäserR. AhlrichsH. Horn OriginalPaper Pages: 455 - 470