Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view

By Angeli Celestino   Cimiraglia Renzo   Malrieu Jean-Paul  

Molecular Physics, Vol. 111, Iss. 9-11, 2013-07 ,pp. : 1069-1077

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio calculations of the &pgr;-electron structures of aniline by the valence-bond method

By Takekiyo Shozaburo  

Molecular Physics, Vol. 63, Iss. 3, 1988-02 ,pp. : 407-417

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio calculations of the &pgr;-electronic structures of pyridine by valence-bond method

By Takekiyo Shozaburo  

Molecular Physics, Vol. 35, Iss. 6, 1978-06 ,pp. : 1705-1711

Taylor & Francis Ltd

Access to resources Recommend Favorite

Convergence and efficiency of the valence bond self-consistent field method

By Van Lenthe J.H.   Verbeek J.   Pulay P.  

Molecular Physics, Vol. 73, Iss. 5, 1991-08 ,pp. : 1159-1170

Taylor & Francis Ltd

Access to resources Recommend Favorite

Complementary method to locate atomic coordinates by combined searching method of structure-sensitive indexes based on bond valence method

By Zhen Song   Xiao-Lang Liu   Li-Zhu He   Zhi-Guo Xia   Quan-Lin Liu  

Chinese Physics B, Vol. 24, Iss. 10, 2015-10 ,pp. : 106101-106105

IOP Publishing

Access to resources Recommend Favorite