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Results:
1-15
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Results: 15
Authors:
WIBERG KB
HAMMER JD
ZILM KW
CHEESEMAN JR
KEITH TA
Citation: Kb. Wiberg et al., NMR CHEMICAL-SHIFTS - 1 - THE ROLE OF RELATIVE ATOMIC ORBITAL PHASE IN DETERMINING THE SIGN OF THE PARAMAGNETIC TERMS - CLF, CH3F, CH3NH3-CF(, FNH3+, AND HC), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(45), 1998, pp. 8766-8773
Authors:
WIBERG KB
HAMMER JD
KEITH TA
ZILM K
Citation: Kb. Wiberg et al., C-13 NMR CHEMICAL-SHIFTS OF METHYL CATION AND ANION - A RELATIONSHIP BETWEEN CHEMICAL-SHIFT AND CHARGE, Tetrahedron letters, 38(3), 1997, pp. 323-326
Authors:
KEITH TA
Citation: Ta. Keith, CALCULATION OF MAGNETIZABILITIES USING GIAO CURRENT-DENSITY DISTRIBUTIONS, Chemical physics, 213(1-3), 1996, pp. 123-132
Authors:
WIBERG KB
CASTEJON H
KEITH TA
Citation: Kb. Wiberg et al., SOLVENT EFFECTS .6. A COMPARISON BETWEEN GAS-PHASE AND SOLUTION ACIDITIES, Journal of computational chemistry, 17(2), 1996, pp. 185-190
Authors:
FORESMAN JB
KEITH TA
WIBERG KB
SNOONIAN J
FRISCH MJ
Citation: Jb. Foresman et al., SOLVENT EFFECTS .5. INFLUENCE OF CAVITY SHAPE, TRUNCATION OF ELECTROSTATICS, AND ELECTRON CORRELATION AB-INITIO REACTION FIELD CALCULATIONS, Journal of physical chemistry, 100(40), 1996, pp. 16098-16104
Authors:
CHEESEMAN JR
TRUCKS GW
KEITH TA
FRISCH MJ
Citation: Jr. Cheeseman et al., A COMPARISON OF MODELS FOR CALCULATING NUCLEAR-MAGNETIC-RESONANCE SHIELDING TENSORS, The Journal of chemical physics, 104(14), 1996, pp. 5497-5509
Authors:
BADER RFW
KEITH TA
Citation: Rfw. Bader et Ta. Keith, USE OF ELECTRON CHARGE AND CURRENT DISTRIBUTIONS IN THE DETERMINATIONOF ATOMIC CONTRIBUTIONS TO MAGNETIC-PROPERTIES, International journal of quantum chemistry, 60(1), 1996, pp. 373-379
Authors:
KEITH TA
BADER RFW
ARAY Y
Citation: Ta. Keith et al., STRUCTURAL HOMEOMORPHISM BETWEEN THE ELECTRON-DENSITY AND THE VIRIAL FIELD, International journal of quantum chemistry, 57(2), 1996, pp. 183-198
Authors:
KEITH TA
BADER RFW
Citation: Ta. Keith et Rfw. Bader, PROPERTIES OF ATOMS IN MOLECULES - NUCLEAR MAGNETIC SHIELDING, Canadian journal of chemistry, 74(2), 1996, pp. 185-200
Authors:
WIBERG KB
KEITH TA
FRISCH MJ
MURCKO M
Citation: Kb. Wiberg et al., SOLVENT EFFECTS ON 1,2-DIHALOETHANE GAUCHE TRANS RATIOS/, Journal of physical chemistry, 99(22), 1995, pp. 9072-9079
Authors:
WIBERG KB
RABLEN PR
RUSH DJ
KEITH TA
Citation: Kb. Wiberg et al., AMIDES .3. EXPERIMENTAL AND THEORETICAL-STUDIES OF THE EFFECT OF THE MEDIUM ON THE ROTATIONAL BARRIERS FOR N,N-DIMETHYLFORMAMIDE AND N,N-DIMETHYLACETAMIDE, Journal of the American Chemical Society, 117(15), 1995, pp. 4261-4270
Authors:
BADER RFW
POPELIER PLA
KEITH TA
Citation: Rfw. Bader et al., THEORETICAL DEFINITION OF A FUNCTIONAL-GROUP AND THE MOLECULAR-ORBITAL PARADIGM, Angewandte Chemie, International Edition in English, 33(6), 1994, pp. 620-631
Authors:
KEITH TA
BADER RFW
Citation: Ta. Keith et Rfw. Bader, TOPOLOGICAL ANALYSIS OF MAGNETICALLY INDUCED MOLECULAR CURRENT DISTRIBUTIONS, The Journal of chemical physics, 99(5), 1993, pp. 3669-3682
Authors:
BADER RFW
KEITH TA
Citation: Rfw. Bader et Ta. Keith, PROPERTIES OF ATOMS IN MOLECULES - MAGNETIC-SUSCEPTIBILITIES, The Journal of chemical physics, 99(5), 1993, pp. 3683-3693
Authors:
KEITH TA
BADER RFW
Citation: Ta. Keith et Rfw. Bader, CALCULATION OF MAGNETIC RESPONSE PROPERTIES USING A CONTINUOUS SET OFGAUGE TRANSFORMATIONS, Chemical physics letters, 210(1-3), 1993, pp. 223-231
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