• Issue

    International Journal of Quantum Chemistry: Volume 71, Issue 4

    295-358
    1999
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Theoretical and Computational Developments

Numerical coupled Liouville approach: Application to second hyperpolarizability of molecular aggregate

M. Nakano,  S. Yamada,  H. Nagao,  K. Yamaguchi, 
  • Pages: 295-306
  • First Published: 03 January 1999

Accurate adapted Gaussian basis sets for the atoms from H through Xe

F. E. Jorge,  E. P. Muniz, 
  • Pages: 307-312
  • First Published: 03 January 1999

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

DFT studies on TinC2n (n=1–6) clusters

Maofa Ge,  Jikang Feng,  Cheng Yang,  Zhiru Li,  Chiachung Sun, 
  • Pages: 313-318
  • First Published: 03 January 1999

Bonding in benzene methylene isomers: Modern VB study using spin-coupled theory†

Josep M. Oliva, 
  • Pages: 319-327
  • First Published: 03 January 1999

CAS–SCF and density functional calculations of second hyperpolarizabilities for a nitronyl nitroxide radical†

S. Yamada,  M. Nakano,  K. Yamaguchi, 
  • Pages: 329-336
  • First Published: 03 January 1999

Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

Quantum chemistry of quantum size-effects in semiconductors: Small clusters electronic structure calculations†

V. S. Gurin, 
  • Pages: 337-341
  • First Published: 03 January 1999

Volume-dependent potential approach for tungsten†

Genady Davidov,  David Fuks,  Simon Dorfman,  Genrich L. Krasko, 
  • Pages: 343-348
  • First Published: 03 January 1999

Molecular Structure, Dynamics, and Function of Biological Systems

Classification of polymer structures by graph theory

S. M. Patra,  S. Vishveshwara, 
  • Pages: 349-356
  • First Published: 03 January 1999

Book Review

Book review

Hendrik J. Monkhorst, 
  • Pages: 357-358
  • First Published: 03 January 1999