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Results: 1-14 |
Results: 14
C-3-M-ALPHA BOND CONTRIBUTION TO POLARIZABILITY TENSOR AND (3)J(C1M-ALPHA) NMR COUPLING-CONSTANT IN 1-X-3-M-BICYCLO[1.1.1]PENTANES
Authors: GIRIBET CG DEAZUA MCR GOMEZ SB BOTEK EL CONTRERAS RH ADCOCK W DELLA EW KRSTIC AR LOCHERT IJ
Citation: Cg. Giribet et al., C-3-M-ALPHA BOND CONTRIBUTION TO POLARIZABILITY TENSOR AND (3)J(C1M-ALPHA) NMR COUPLING-CONSTANT IN 1-X-3-M-BICYCLO[1.1.1]PENTANES, Journal of computational chemistry, 19(2), 1998, pp. 181-188
AB-INITIO IPPP-CLOPPA APPROACH TO PERFORM BOND CONTRIBUTION ANALYSIS OF NMR COUPLING-CONSTANTS - (1)J(NH) IN NH3 AS A FUNCTION OF PYRAMIDALITY
Authors: DEAZUA MCR GIRIBET CG VIZIOLI CV CONTRERAS RH
Citation: Mcr. Deazua et al., AB-INITIO IPPP-CLOPPA APPROACH TO PERFORM BOND CONTRIBUTION ANALYSIS OF NMR COUPLING-CONSTANTS - (1)J(NH) IN NH3 AS A FUNCTION OF PYRAMIDALITY, Journal of molecular structure. Theochem, 433, 1998, pp. 141-150
ELECTROSTATIC EFFECT OF THE POLAR BOND POLARIZABLE BOND INTERACTION ON C-13 CHEMICAL-SHIFTS
Authors: PERALTA JE DEAZUA MCR CONTRERAS RH
Citation: Je. Peralta et al., ELECTROSTATIC EFFECT OF THE POLAR BOND POLARIZABLE BOND INTERACTION ON C-13 CHEMICAL-SHIFTS, International journal of quantum chemistry, 70(1), 1998, pp. 105-112
DEPENDENCE OF GEMINAL H-1-H-1 AND P-31-H-1 SPIN-SPIN COUPLING-CONSTANTS ON THE SPECIFIC INTRAMOLECULAR C-H...X INTERACTION
Authors: AFONIN AV PEREZ DE DEAZUA MCR CONTRERAS RH LAZZERETTI P
Citation: Av. Afonin et al., DEPENDENCE OF GEMINAL H-1-H-1 AND P-31-H-1 SPIN-SPIN COUPLING-CONSTANTS ON THE SPECIFIC INTRAMOLECULAR C-H...X INTERACTION, Russian chemical bulletin, 46(2), 1997, pp. 292-296
AB-INITIO CLOPPA DECOMPOSITION OF THE STATIC MOLECULAR POLARIZABILITYTENSOR
Authors: GIRIBET CG DEMARCO MD DEAZUA MCR CONTRERAS RH
Citation: Cg. Giribet et al., AB-INITIO CLOPPA DECOMPOSITION OF THE STATIC MOLECULAR POLARIZABILITYTENSOR, Molecular physics, 91(1), 1997, pp. 105-111
CLOPPA RPA-AM1 ANALYSIS OF THE ANISOTROPY OF NMR (1)J(XY) COUPLING TENSORS IN ME(3)XY COMPOUNDS (X=C-13, SI-29, SN-119, PB-207, Y=F-19, CL-35)
Authors: GONZALEZ JA AUCAR GA DEAZUA MCR CONTRERAS RH
Citation: Ja. Gonzalez et al., CLOPPA RPA-AM1 ANALYSIS OF THE ANISOTROPY OF NMR (1)J(XY) COUPLING TENSORS IN ME(3)XY COMPOUNDS (X=C-13, SI-29, SN-119, PB-207, Y=F-19, CL-35), International journal of quantum chemistry, 61(5), 1997, pp. 823-833
PROXIMITY EFFECTS ON NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .2. THE ELECTRIC-FIELD EFFECT ON (1)J(CH) COUPLINGS
Authors: GIRIBET CG VIZIOLI CV DEAZUA MCR CONTRERAS RH DANNENBERG JJ MASUNOV A
Citation: Cg. Giribet et al., PROXIMITY EFFECTS ON NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .2. THE ELECTRIC-FIELD EFFECT ON (1)J(CH) COUPLINGS, Journal of the Chemical Society. Faraday transactions, 92(17), 1996, pp. 3029-3033
AB-INITIO AND EXPERIMENTAL-STUDY OF NMR COUPLING-CONSTANTS IN BICYCLO[1.1.1]PENTANE
Authors: LAZZERETTI P MALAGOLI M ZANASI R DELLA EW LOCHERT IJ GIRIBET CG DEAZUA MCR CONTRERAS RH
Citation: P. Lazzeretti et al., AB-INITIO AND EXPERIMENTAL-STUDY OF NMR COUPLING-CONSTANTS IN BICYCLO[1.1.1]PENTANE, Journal of the Chemical Society. Faraday transactions, 91(22), 1995, pp. 4031-4035
NUMERICAL EVALUATION OF 3-CENTER AND 4-CENTER BIELECTRONIC INTEGRALS USING EXPONENTIAL-TYPE ATOMIC ORBITALS
Authors: CESCO JC DENNER CC ROSSO AE PEREZ JE ORTIZ FS CONTRERAS RH GIRIBET CG DEAZUA MCR
Citation: Jc. Cesco et al., NUMERICAL EVALUATION OF 3-CENTER AND 4-CENTER BIELECTRONIC INTEGRALS USING EXPONENTIAL-TYPE ATOMIC ORBITALS, Journal of computational chemistry, 16(12), 1995, pp. 1507-1512
EXPANSION OF ATOMIC ORBITAL PRODUCTS IN TERMS OF A COMPLETE FUNCTION SET
Authors: PEREZ JE CUENYA HH CONTRERAS RH ORTIZ FS GRINBERG H DEAZUA MCR GIRIBET CG
Citation: Je. Perez et al., EXPANSION OF ATOMIC ORBITAL PRODUCTS IN TERMS OF A COMPLETE FUNCTION SET, Theoretica Chimica Acta, 88(2), 1994, pp. 147-168
PROXIMITY EFFECTS ON NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .1. (1)J(CH) COUPLINGS IN THE VICINITY OF AN ATOM BEARING LONE PAIRS
Authors: VIZIOLI C DEAZUA MCR GIRIBET CG CONTRERAS RH TURI L DANNENBERG JJ RAE ID WEIGOLD JA MALAGOLI M ZANASI R LAZZERETTI P
Citation: C. Vizioli et al., PROXIMITY EFFECTS ON NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .1. (1)J(CH) COUPLINGS IN THE VICINITY OF AN ATOM BEARING LONE PAIRS, Journal of physical chemistry, 98(36), 1994, pp. 8858-8861
EVALUATION OF INTEGRALS APPEARING IN THE HYLLERAAS CI METHOD BY EXPANDING 1 R(IJ) IN TERMS OF A COMPLETE BASIS-SET/
Authors: PEREZ JE CUENYA HH CONTRERAS RH ORTIZ FS GRINBERG H GIRIBET CG DEAZUA MCR
Citation: Je. Perez et al., EVALUATION OF INTEGRALS APPEARING IN THE HYLLERAAS CI METHOD BY EXPANDING 1 R(IJ) IN TERMS OF A COMPLETE BASIS-SET/, International journal of quantum chemistry, 1994, pp. 39-48
POLARIZATION PROPAGATOR ANALYSIS OF SPIN-SPIN COUPLING-CONSTANTS
Authors: CONTRERAS RH DEAZUA MCR GIRIBET CG AUCAR GA DEBONCZOK RL
Citation: Rh. Contreras et al., POLARIZATION PROPAGATOR ANALYSIS OF SPIN-SPIN COUPLING-CONSTANTS, Journal of molecular structure. Theochem, 103(3), 1993, pp. 249-269
POLARIZATION PROPAGATOR ANALYSIS OF THE THROUGH-SPACE TRANSMISSION OFSPIN-SPIN COUPLING-CONSTANTS BY OVERLAP OF LONE PAIRS
Authors: GIRIBET CG DEAZUA MCR CONTRERAS RH DEBONCZOK RL AUCAR GA GOMEZ S
Citation: Cg. Giribet et al., POLARIZATION PROPAGATOR ANALYSIS OF THE THROUGH-SPACE TRANSMISSION OFSPIN-SPIN COUPLING-CONSTANTS BY OVERLAP OF LONE PAIRS, Journal of molecular structure, 300, 1993, pp. 467-477
Risultati: 1-14 |