• Issue

    International Journal of Quantum Chemistry: Volume 69, Issue 5

    629-691
    1998
Previous Issue|Next Issue
Export Citation(s)Download PDF(s)

Theoretical and Computational Developments

Nonadiabatic molecular theory and its application. II. Water molecule †

Y. Shigeta,  Y. Ozaki,  K. Kodama,  H. Nagao,  H. Kawabe,  K. Nishikawa, 
  • Pages: 629-637
  • First Published: 06 December 1998

Correlated wave-function theory for many-center many-electron problems

Dmitry A. Shershakov,  Vladimir V. Nechaev, 
  • Pages: 639-648
  • First Published: 06 December 1998

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

Semiempirical configuration interaction calculations of XPS shake-up satellites in Ni(CO)4

J. Bustad,  S. Lunell, 
  • Pages: 649-657
  • First Published: 06 December 1998

Ab initio study on the internal rotation of five π-conjugated hydrocarbons at MP2 level

Xuedong Gong,  Heming Xiao, 
  • Pages: 659-667
  • First Published: 06 December 1998

Stability of oxygen anions and hydrogen abstraction from methane on reduced SnO2 (110) surface

Yoichi Yamaguchi,  Yosuke Nagasawa,  Akinori Murakami,  Kenji Tabata, 
  • Pages: 669-678
  • First Published: 06 December 1998

Complete basis set and Gaussian-2 ab initio computational studies of planar Hückel and Möbius aromatic hydrogen clusters

Branko S. Jursic, 
  • Pages: 679-687
  • First Published: 06 December 1998

Book review

Erik Deumens, 
  • Page: 689
  • First Published: 06 December 1998
Free Access

Books received

Michael C. Zerner, 
  • Page: 691
  • First Published: 06 December 1998