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■ Abbreviation / Long Form : MCQDPT / multiconfigurational quasidegenerate perturbation theory

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Total Number of Papers: 8
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Abbreviation:   MCQDPT  (>> Co-occurring Abbreviation)
Long Form:   multiconfigurational quasidegenerate perturbation theory
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No. Year Title Co-occurring Abbreviation
2014 The reliability of DFT methods to predict electronic structures and minimum energy crossing point for [Fe(IV)O](OH)2 models: a comparison study with MCQDPT method. MECP, TSR
2012 Ab initio molecular orbital study on the excited states of [2.2]-, [3.3]-, and siloxane-bridged paracyclophanes. SiPCP, TDDFT
2011 Ab initio studies of aromatic excimers using multiconfiguration quasi-degenerate perturbation theory. ---
2011 Performance of dynamically weighted multiconfiguration self-consistent field and spin-orbit coupling calculations of diatomic molecules of Group 14 elements. MCSCF
2011 Solvent-induced shifts in electronic spectra of uracil. CASSCF, EFP
2009 Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systems. CASCI, IVO, PECs
2008 The electronic structure and energetics of V(+)-benzene half-sandwiches of different multiplicities: Comparative multireference and single-reference theoretical study. CASSCF
2005 Influence of multi-atom bridging ligands on the electronic structure and magnetic properties of homodinuclear titanium molecules. CAS, SCF