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LIMITED CONFIGURATION-INTERACTION CALCULATIONS OF ONE-ELECTRON PROPERTIES - THE USE OF A WINDOW
Authors: LANGENAEKER W DEPROFT F GEERLINGS P
Citation: W. Langenaeker et al., LIMITED CONFIGURATION-INTERACTION CALCULATIONS OF ONE-ELECTRON PROPERTIES - THE USE OF A WINDOW, Journal of molecular structure. Theochem, 119(3), 1994, pp. 283-290
ON THE USE OF DENSITY-FUNCTIONAL THEORY-BASED DESCRIPTORS FOR THE INTERPRETATION OF THE INFLUENCE OF ALKYL SUBSTITUTION ON THE BASICITY OF AMINES
Authors: BAETEN A DEPROFT F LANGENAEKER W GEERLINGS P
Citation: A. Baeten et al., ON THE USE OF DENSITY-FUNCTIONAL THEORY-BASED DESCRIPTORS FOR THE INTERPRETATION OF THE INFLUENCE OF ALKYL SUBSTITUTION ON THE BASICITY OF AMINES, Journal of molecular structure. Theochem, 112(2-3), 1994, pp. 203-211
QUANTUM-CHEMICAL STUDY OF THE ACIDITY OF-SUBSTITUTED ACETIC-ACIDS WITH DENSITY-FUNCTIONAL THEORY-BASED DESCRIPTORS
Authors: DEPROFT F AMIRA S CHOHO K GEERLINGS P
Citation: F. Deproft et al., QUANTUM-CHEMICAL STUDY OF THE ACIDITY OF-SUBSTITUTED ACETIC-ACIDS WITH DENSITY-FUNCTIONAL THEORY-BASED DESCRIPTORS, Journal of physical chemistry, 98(20), 1994, pp. 5227-5233
QUANTUM-CHEMICAL STUDY OF THE INFLUENCE OF ISOMORPHOUS SUBSTITUTION ON THE CATALYTIC ACTIVITY OF ZEOLITES - AN EVALUATION OF REACTIVITY INDEXES
Authors: LANGENAEKER W COUSSEMENT N DEPROFT F GEERLINGS P
Citation: W. Langenaeker et al., QUANTUM-CHEMICAL STUDY OF THE INFLUENCE OF ISOMORPHOUS SUBSTITUTION ON THE CATALYTIC ACTIVITY OF ZEOLITES - AN EVALUATION OF REACTIVITY INDEXES, Journal of physical chemistry, 98(11), 1994, pp. 3010-3014
THE EFFECT OF ELCTRON CORRELATION ON THE SHELL STRUCTURE OF ATOMS
Authors: DEPROFT F GEERLINGS P
Citation: F. Deproft et P. Geerlings, THE EFFECT OF ELCTRON CORRELATION ON THE SHELL STRUCTURE OF ATOMS, Chemical physics letters, 220(6), 1994, pp. 405-410
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