Ab initio calculation of structures and vibrational spectra of XC(O)SSC(O)X (X = F, Cl)

By Lu Hong-Wen   Zou Xian-Wu   Zhuang Hong-Zhang   Jin Zhun-Zhi  

Molecular Physics, Vol. 85, Iss. 1, 1995-05 ,pp. : 145-152

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Breakdown of the superposition approximation: an ab initio MO calculation of the triplet polarizability of Li 2 Cl +

By Bounds David   Hinchliffe Alan  

Molecular Physics, Vol. 38, Iss. 3, 1979-09 ,pp. : 717-727

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Ab initio calculation and kinetic analysis of the reaction of silylene with ethylene SiH C H 2 2 4

By Sengupta Debasis   Nguyen Minh Tho  

Molecular Physics, Vol. 89, Iss. 5, 1996-12 ,pp. : 1567-1576

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Ab initio study of the Cl+H2S atmospheric reaction: is there a breakdown of the transition state theory?

By Resende Stella Maris   Pliego Josefredo   Vandresen Solange  

Molecular Physics, Vol. 106, Iss. 7, 2008-04 ,pp. : 841-848

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Ab initio calculation of force constants and equilibrium geometries

By Pulay P.  

Molecular Physics, Vol. 21, Iss. 2, 1971-01 ,pp. : 329-339

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