CASPT2 study of the electronic states of chlorodifluoromethane and chlorofluoromethane ions

By Liu T.   Huang M. -B.  

Molecular Physics, Vol. 105, Iss. 17-18, 2007-09 ,pp. : 2279-2288

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Trans cis isomerization in long linear polyenes as beta-carotene models: a comparative CAS-PT2 and DFT study

By Bernardi Fernando   Garavelli Marco   Olivucci Massimo  

Molecular Physics, Vol. 92, Iss. 3, 1997-10 ,pp. : 359-364

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Ferrimagnetic coupling in oxamido-bridged Mn(II)Cu(II) compounds: a combined CASPT2 and DDCI study

By Queralt Núria   Graaf Coen De   Cabrero Jesús   Caballol Rosa  

Molecular Physics, Vol. 101, Iss. 13, 2003-07 ,pp. : 2095-2102

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Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory

By Coto P. B.   Sinicropi A.   De Vico L.   Ferré N.   Olivucci M.  

Molecular Physics, Vol. 104, Iss. 5-7, 2006-03 ,pp. : 983-991

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Electronic states of the c is - and trans - H3ONO molecules: a CASPT2 study

By Yu S. -Y.   Zhang C. -G.   Huang M. -B.  

Molecular Physics, Vol. 105, Iss. 23-24, 2007-12 ,pp. : 2977-2986

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