Molecular structure and IR spectra of bromomethanes by DFT and post-Hartree-Fock MP2 and CCSD(T) calculations

By Venkatraman Ramaiyer   Kwiatkowski Jozef S.   Bakalarski Grzegorz   Leszczynski Jerzy  

Molecular Physics, Vol. 98, Iss. 6, 2000-03 ,pp. : 371-386

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Gaussian basis set of triple zeta valence quality for the atoms from K to Kr: Application in DFT and CCSD(T) calculations of molecular properties

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Molecular Physics, Vol. 107, Iss. 16, 2009-01 ,pp. : 1713-1727

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Dimers of rare gas atoms: CCSD(T), CCSDT and FCI calculations on the (He)2 dimer, CCSD(T) and CCSDT calculations on the (Ne)2 dimer, and CCSD(T) all-electron and pseudopotential calculations on the dimers from (Ne)2 through (Xe)2

By Burda J. V.   Zahradnik R.   Hobza P.   Urban M.  

Molecular Physics, Vol. 89, Iss. 2, 1996-10 ,pp. : 425-432

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Triple zeta quality basis sets for atoms Rb through Xe: application in CCSD(T) atomic and molecular property calculations

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Molecular Physics, Vol. 111, Iss. 2, 2013-01 ,pp. : 167-173

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Benchmark calculations using the individually selecting configuration interaction method

By Stampfuss P.   Wenzel W.  

Molecular Physics, Vol. 100, Iss. 11, 2002-06 ,pp. : 1807-1812

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