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Results: 1-8 |
Results: 8
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)
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
AB-INITIO PREDICTION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISMSPECTRA OF CHIRAL NATURAL-PRODUCTS USING DENSITY-FUNCTIONAL THEORY - ALPHA-PINENE
Authors: DEVLIN FJ STEPHENS PJ CHEESEMAN JR FRISCH MJ
Citation: Fj. Devlin et al., AB-INITIO PREDICTION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISMSPECTRA OF CHIRAL NATURAL-PRODUCTS USING DENSITY-FUNCTIONAL THEORY - ALPHA-PINENE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(51), 1997, pp. 9912-9924
AB-INITIO PREDICTION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISMSPECTRA OF CHIRAL NATURAL-PRODUCTS USING DENSITY-FUNCTIONAL THEORY - CAMPHOR AND FENCHONE
Authors: DEVLIN FJ STEPHENS PJ CHEESEMAN JR FRISCH MJ
Citation: Fj. Devlin et al., AB-INITIO PREDICTION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISMSPECTRA OF CHIRAL NATURAL-PRODUCTS USING DENSITY-FUNCTIONAL THEORY - CAMPHOR AND FENCHONE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(35), 1997, pp. 6322-6333
AB-INITIO CALCULATION OF ATOMIC AXIAL TENSORS AND VIBRATIONAL-ROTATIONAL STRENGTHS USING DENSITY-FUNCTIONAL THEORY
Authors: STEPHENS PJ ASHVAR CS DEVLIN FJ CHEESEMAN JR FRISCH MJ
Citation: Pj. Stephens et al., AB-INITIO CALCULATION OF ATOMIC AXIAL TENSORS AND VIBRATIONAL-ROTATIONAL STRENGTHS USING DENSITY-FUNCTIONAL THEORY, Molecular physics, 89(2), 1996, pp. 579-594
A COMPARISON OF MODELS FOR CALCULATING NUCLEAR-MAGNETIC-RESONANCE SHIELDING TENSORS
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
AB-INITIO CALCULATION OF ATOMIC AXIAL TENSORS AND VIBRATIONAL-ROTATIONAL STRENGTHS USING DENSITY-FUNCTIONAL THEORY
Authors: CHEESEMAN JR FRISCH MJ DEVLIN FJ STEPHENS PJ
Citation: Jr. Cheeseman et al., AB-INITIO CALCULATION OF ATOMIC AXIAL TENSORS AND VIBRATIONAL-ROTATIONAL STRENGTHS USING DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 252(3-4), 1996, pp. 211-220
PREDICTION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL THEORY - CAMPHOR AND FENCHONE
Authors: DEVLIN FJ STEPHENS PJ CHEESEMAN JR FRISCH MJ
Citation: Fj. Devlin et al., PREDICTION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL THEORY - CAMPHOR AND FENCHONE, Journal of the American Chemical Society, 118(26), 1996, pp. 6327-6328
SUBSTITUENT EFFECTS .6. HETEROSUBSTITUTED ALLYL RADICALS - COMPARISONWITH SUBSTITUTED ALLYL CATIONS AND ANIONS
Authors: WIBERG KB CHEESEMAN JR OCHTERSKI JW FRISCH MJ
Citation: Kb. Wiberg et al., SUBSTITUENT EFFECTS .6. HETEROSUBSTITUTED ALLYL RADICALS - COMPARISONWITH SUBSTITUTED ALLYL CATIONS AND ANIONS, Journal of the American Chemical Society, 117(24), 1995, pp. 6535-6543
Risultati: 1-8 |