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Results:
1-15
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Results: 15
Authors:
ARNAUD R
SUBRA R
BARONE V
Citation: R. Arnaud et al., A THEORETICAL-STUDY OF SUBSTITUENT EFFECTS ON THE STRUCTURE OF ISOLATED AND CONDENSED 3-MEMBERED RINGS - A COMPARISON BETWEEN RADICALS AND PARENT HYDROCARBONS, Theoretical Chemistry accounts ( Theoretical Chemistry accounts (Print)), 99(6), 1998, pp. 411-419
Authors:
JOLIBOIS F
DHAM C
GRAND A
SUBRA R
CADET J
Citation: F. Jolibois et al., CIS-5-HYDROPEROXY-6-HYDROXY-5,6-DIHYDROTHYMINE - CRYSTAL-STRUCTURE AND THEORETICAL INVESTIGATIONS OF THE ELECTRONIC-PROPERTIES BY DFT, Journal of molecular structure. Theochem, 427, 1998, pp. 143-155
Authors:
JOLIBOIS F
CADET J
GRAND A
SUBRA R
REGA N
BARONE V
Citation: F. Jolibois et al., STRUCTURES AND SPECTROSCOPIC CHARACTERISTICS OF 5,6-DIHYDRO-6-THYMYL AND 5,6-DIHYDRO-5-THYMYL RADICALS BY AN INTEGRATED QUANTUM-MECHANICAL APPROACH INCLUDING ELECTRONIC, VIBRATIONAL, AND SOLVENT EFFECTS, Journal of the American Chemical Society, 120(8), 1998, pp. 1864-1871
Authors:
BARONE V
CAPECCHI G
BRUNEL Y
ANDRIES MLD
SUBRA R
Citation: V. Barone et al., DEVELOPMENT AND VALIDATION OF FORCE-FIELD PARAMETERS FOR MOLECULAR SIMULATIONS OF PEPTIDES AND PROTEINS CONTAINING OPEN-SHELL RESIDUES, Journal of computational chemistry, 18(14), 1997, pp. 1720-1728
Authors:
BARONE V
ADAMO C
BRUNEL Y
SUBRA R
Citation: V. Barone et al., STRUCTURES, HYPERFINE PARAMETERS, AND INVERSION BARRIERS OF CYCLOPROPYL AND OXIRANYL RADICALS, The Journal of chemical physics, 105(8), 1996, pp. 3168-3174
Authors:
BARONE V
SUBRA R
Citation: V. Barone et R. Subra, STRUCTURE AND HYPERFINE PARAMETERS OF CYCLOPROPYL AND BICYCLOBUTYL RADICALS FROM POST-HARTREE-FOCK COMPUTATIONS, The Journal of chemical physics, 104(7), 1996, pp. 2630-2637
Authors:
CASTELL O
CABALLOL R
SUBRA R
GRAND A
Citation: O. Castell et al., AB-INITIO STUDY OF ULLMANS NITROXIDE BIRADICALS, EXCHANGE COUPLING VERSUS STRUCTURAL CHARACTERISTICS ANALYSIS, Journal of physical chemistry, 99(1), 1995, pp. 154-157
Authors:
BARONE V
ADAMO C
GRAND A
SUBRA R
Citation: V. Barone et al., ESR FEATURES OF THE BICYCLOBUTYL RADICAL REVISITED - A COUNTERINTUITIVE ORDERING OF SHORT-RANGE AND LONG-RANGE ISOTROPIC HYPERFINE COUPLING-CONSTANTS, Chemical physics letters, 246(1-2), 1995, pp. 53-58
Authors:
BARONE V
ADAMO C
GRAND A
SUBRA R
Citation: V. Barone et al., STRUCTURE AND ESR FEATURES OF GLYCINE RADICAL IN ITS ZWITTERIONIC FORM, Chemical physics letters, 242(3), 1995, pp. 351-354
Authors:
BARONE V
ADAMO C
GRAND A
JOLIBOIS F
BRUNEL Y
SUBRA R
Citation: V. Barone et al., STRUCTURE AND ESR FEATURES OF GLYCINE RADICAL, Journal of the American Chemical Society, 117(50), 1995, pp. 12618-12624
Authors:
BARONE V
ADAMO C
GRAND A
BRUNEL Y
FONTECAVE M
SUBRA R
Citation: V. Barone et al., CONFORMATIONAL BEHAVIOR AND MAGNETIC-PROPERTIES OF ORGANIC RADICALS DERIVED FROM AMINO-ACID-RESIDUES - THE DIPEPTIDE ANALOG OF GLYCINE RADICAL, Journal of the American Chemical Society, 117(3), 1995, pp. 1083-1089
Authors:
ZHELUDEV A
BARONE V
BONNET M
DELLEY B
GRAND A
RESSOUCHE E
REY P
SUBRA R
SCHWEIZER J
Citation: A. Zheludev et al., SPIN-DENSITY IN A NITRONYL NITROXIDE FREE-RADICAL - POLARIZED NEUTRON-DIFFRACTION INVESTIGATION AND AB-INITIO CALCULATIONS, Journal of the American Chemical Society, 116(5), 1994, pp. 2019-2027
Authors:
BARONE V
GRAND A
LUNEAU D
REY P
MINICHINO C
SUBRA R
Citation: V. Barone et al., AB-INITIO CONFIGURATION-INTERACTION CALCULATION OF ISOTROPIC SPIN-DENSITIES IN NITRONYL AND IMINONITROXIDES, New journal of chemistry, 17(8-9), 1993, pp. 545-549
Authors:
ARNAUD R
GRAND A
SUBRA R
Citation: R. Arnaud et al., ENTHALPIES OF FORMATION AND STABILIZATION ENERGIES OF ALPHA-SUBSTITUTED AND BETA-SUBSTITUTED PROPYL RADICALS - AN AB-INITIO STUDY, Journal of molecular structure. Theochem, 102, 1993, pp. 101-109
Authors:
BARONE V
GRAND A
MINICHINO C
SUBRA R
Citation: V. Barone et al., VIBRATIONAL MODULATION EFFECTS ON THE HYPERFINE COUPLING-CONSTANTS OFFLUOROMETHYL RADICALS, The Journal of chemical physics, 99(9), 1993, pp. 6787-6798
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1-15
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