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Abbreviation: CASSCF
Appearance Frequency: 430 time(s)
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Long Form No. Long Form Research Area Co-occurring Abbreviation PubMed/MEDLINE Info. (Year, Title)
complete active space self-consistent field
(404 times)
Chemistry
(359 times)
DFT (67 times)
MRCI (26 times)
TDDFT (23 times)
1995 Metabolite predictions for para-substituted anisoles based on ab initio complete active space self-consistent field calculations.
complete active space SCF
(16 times)
Chemistry
(15 times)
SCF (4 times)
CC (3 times)
MRCI (3 times)
1998 An ab Initio Study of the NH2+ Absorption Spectrum
CAS self-consistent field
(4 times)
Chemistry
(4 times)
CAS (2 times)
CASCI (2 times)
DMRG (2 times)
2011 The generalized active space concept in multiconfigurational self-consistent field methods.
complete active space SCF method
(2 times)
Chemistry
(2 times)
OptOrbFCI (2 times)
CDFCI (1 time)
FCI (1 time)
2019 Are Inorganic Single-Molecule Magnets a Possibility? A Theoretical Insight into Dysprosium Double-Deckers with Inorganic Ring Systems.
calculations and ab initio wave function methods
(1 time)
Chemistry
(1 time)
--- 2018 High-Pressure Studies of Cesium Uranyl Chloride.
complete active space multiconfiguration self-consistent field
(1 time)
Chemistry
(1 time)
TDDFT (1 time)
2014 A time-dependent density-functional theory and complete active space self-consistent field method study of vibronic absorption and emission spectra of coumarin.
complete active space wave functions
(1 time)
Chemistry, Physical
(1 time)
AIM (1 time)
ELF (1 time)
2008 Electronic structure of germanium monohydrides Ge(n)H, n = 1-3.
complete-active space self-consistent-field calculations
(1 time)
Chemistry
(1 time)
MCD (1 time)
TDDFT (1 time)
2016 Spectroscopic and Computational Investigations of a Mononuclear Manganese(IV)-Oxo Complex Reveal Electronic Structure Contributions to Reactivity.