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Results: 1-25 | 26-30
Results: 1-25/30
CONFORMATIONAL EFFECTS ON C-13 NMR PARAMETERS IN ALKYL FORMATES
Authors: DEKOWALEWSKI DG KOWALEWSKI VJ CONTRERAS RH DIEZ E ESTEBAN AL
Citation: Dg. Dekowalewski et al., CONFORMATIONAL EFFECTS ON C-13 NMR PARAMETERS IN ALKYL FORMATES, Magnetic resonance in chemistry, 36(5), 1998, pp. 336-342
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
SOLVENT EFFECTS ON O-17 CHEMICAL-SHIFTS IN AMIDES - QUANTITATIVE LINEAR SOLVATION SHIFT RELATIONSHIPS
Authors: DIEZ E FABIAN JS GEROTHANASSIS IP ESTEBAN AL ABBOUD JLM CONTRERAS RH DEKOWALEWSKI DG
Citation: E. Diez et al., SOLVENT EFFECTS ON O-17 CHEMICAL-SHIFTS IN AMIDES - QUANTITATIVE LINEAR SOLVATION SHIFT RELATIONSHIPS, Journal of magnetic resonance [1997], 124(1), 1997, pp. 8-19
STUDY OF STEREOCHEMICAL DEPENDENCES OF THE DIRECT C-13-H-1 SPIN-SPIN COUPLING-CONSTANTS IN VINYLPYRIDINES BY THE QUANTUM-CHEMICAL INDO-RPA METHOD
Authors: AFONIN AV PERUCHENA NM SOSA L CONTRERAS RH
Citation: Av. Afonin et al., STUDY OF STEREOCHEMICAL DEPENDENCES OF THE DIRECT C-13-H-1 SPIN-SPIN COUPLING-CONSTANTS IN VINYLPYRIDINES BY THE QUANTUM-CHEMICAL INDO-RPA METHOD, Russian chemical bulletin, 46(2), 1997, pp. 251-253
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
EXPERIMENTAL AND THEORETICAL-STUDY OF THE ETHOXY GROUP CONFORMATIONALEFFECT ON C-13 CHEMICAL-SHIFTS IN ORTHO-SUBSTITUTED PHENETOLS
Authors: DEKOWALEWSKI DG KOWALEWSKI VJ BOTEK E CONTRERAS RH FACELLI JC
Citation: Dg. Dekowalewski et al., EXPERIMENTAL AND THEORETICAL-STUDY OF THE ETHOXY GROUP CONFORMATIONALEFFECT ON C-13 CHEMICAL-SHIFTS IN ORTHO-SUBSTITUTED PHENETOLS, Magnetic resonance in chemistry, 35(6), 1997, pp. 351-356
TOPOLOGICAL ANALYSIS OF HYDROGEN-BONDING INTERACTIONS INVOLVING C-H...O BONDS
Authors: SOSA GL PERUCHENA N CONTRERAS RH CASTRO EA
Citation: Gl. Sosa et al., TOPOLOGICAL ANALYSIS OF HYDROGEN-BONDING INTERACTIONS INVOLVING C-H...O BONDS, Journal of molecular structure. Theochem, 401(1-2), 1997, pp. 77-85
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
EXPERIMENTAL AND THEORETICAL-STUDY OF SUBSTITUENT EFFECTS ON (3)J((13)C1-H-1) COUPLING-CONSTANTS IN 1-X-BICYCLO[1.1.1]PENTANES
Authors: DELLA EW LOCHERT IJ PERUCHENA NM AUCAR GA CONTRERAS RH
Citation: Ew. Della et al., EXPERIMENTAL AND THEORETICAL-STUDY OF SUBSTITUENT EFFECTS ON (3)J((13)C1-H-1) COUPLING-CONSTANTS IN 1-X-BICYCLO[1.1.1]PENTANES, Journal of physical organic chemistry, 9(3), 1996, pp. 168-178
CARBONYL O-17 CHEMICAL-SHIFT IN THE PROXIMITY OF A METHYL-GROUP IN AMIDES - AN EXPERIMENTAL AND THEORETICAL-STUDY
Authors: CONTRERAS RH BIEKOFSKY RR ESTEBAN AL DIEZ E SANFABIAN J
Citation: Rh. Contreras et al., CARBONYL O-17 CHEMICAL-SHIFT IN THE PROXIMITY OF A METHYL-GROUP IN AMIDES - AN EXPERIMENTAL AND THEORETICAL-STUDY, Magnetic resonance in chemistry, 34(6), 1996, pp. 447-452
RELATIVE SIGNS OF 3-BOND FLUORINE-CARBON AND 4-BOND FLUORINE-HYDROGENCOUPLINGS IN 2-SUBSTITUTED FLUOROBENZENES
Authors: RAE ID WEIGOLD JA DEKOWALEWSKI DG BIEKOFSKY RR CONTRERAS RH
Citation: Id. Rae et al., RELATIVE SIGNS OF 3-BOND FLUORINE-CARBON AND 4-BOND FLUORINE-HYDROGENCOUPLINGS IN 2-SUBSTITUTED FLUOROBENZENES, Magnetic resonance in chemistry, 34(3), 1996, pp. 181-184
H-1-H-1 LONG-RANGE COUPLINGS IN FUSED CYCLOPROPANES - NMR SPECTRAL ASSIGNMENT AND CONFORMATION OF 17,18-CYCLOSTEROIDS
Authors: SPROVIERO EM FERRARA A CONTRERAS RH BURTON G
Citation: Em. Sproviero et al., H-1-H-1 LONG-RANGE COUPLINGS IN FUSED CYCLOPROPANES - NMR SPECTRAL ASSIGNMENT AND CONFORMATION OF 17,18-CYCLOSTEROIDS, Perkin transactions. 2, (5), 1996, pp. 933-938
RPA AM1 CALCULATIONS OF NMR SPIN-SPIN COUPLING-CONSTANTS - GEMINAL SN-119-SN-119 COUPLINGS
Authors: AUCAR GA BOTEK E GOMEZ S SPROVIERO E CONTRERAS RH
Citation: Ga. Aucar et al., RPA AM1 CALCULATIONS OF NMR SPIN-SPIN COUPLING-CONSTANTS - GEMINAL SN-119-SN-119 COUPLINGS, Journal of organometallic chemistry, 524(1-2), 1996, pp. 1-7
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
THEORETICAL-ANALYSIS OF INTERACTIONS AFFECTING (1)J(CH) NMR COUPLINGSIN AN SP(3) HYBRIDIZED CARBON-ATOM .1. THE EXOANOMERIC EFFECT IN 3-METHOXY-1,2,4,5-TETROXANE
Authors: PERUCHENA NM CONTRERAS RH
Citation: Nm. Peruchena et Rh. Contreras, THEORETICAL-ANALYSIS OF INTERACTIONS AFFECTING (1)J(CH) NMR COUPLINGSIN AN SP(3) HYBRIDIZED CARBON-ATOM .1. THE EXOANOMERIC EFFECT IN 3-METHOXY-1,2,4,5-TETROXANE, Journal of molecular structure. Theochem, 338, 1995, pp. 25-30
RPA MNDO ANALYSIS OF THE DIHEDRAL ANGLE DEPENDENCE OF VICINAL J(SNSN)AND J(SNC) NMR COUPLING-CONSTANTS
Authors: PERUCHENA NM SOSA L AUCAR GA CONTRERAS RH
Citation: Nm. Peruchena et al., RPA MNDO ANALYSIS OF THE DIHEDRAL ANGLE DEPENDENCE OF VICINAL J(SNSN)AND J(SNC) NMR COUPLING-CONSTANTS, Journal of molecular structure. Theochem, 330, 1995, pp. 211-216
A C-13 NMR AND AM1 STUDY ON INTRAMOLECULAR INTERACTIONS DEFINING THE METHOXY GROUP CONFORMATION IN UNHINDERED ANISOLE DERIVATIVES
Authors: BIEKOFSKY RR POMILIO AB ARISTEGUI RA CONTRERAS RH
Citation: Rr. Biekofsky et al., A C-13 NMR AND AM1 STUDY ON INTRAMOLECULAR INTERACTIONS DEFINING THE METHOXY GROUP CONFORMATION IN UNHINDERED ANISOLE DERIVATIVES, Journal of molecular structure, 344(1-2), 1995, pp. 143-150
METHOXY GROUP CONFORMATION EFFECTS ON C-13 NMR PARAMETERS IN 1-CIS-METHOXY-1,3-TRANS-BUTADIENE AND 1-TRANS-METHOXY-1,3-TRANS-BUTADIENE
Authors: ESTEBAN AL GALACHE MP DIEZ E BIEKOFSKY RR CONTRERAS RH
Citation: Al. Esteban et al., METHOXY GROUP CONFORMATION EFFECTS ON C-13 NMR PARAMETERS IN 1-CIS-METHOXY-1,3-TRANS-BUTADIENE AND 1-TRANS-METHOXY-1,3-TRANS-BUTADIENE, Magnetic resonance in chemistry, 32(4), 1994, pp. 199-204
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
Risultati: 1-25 | 26-30