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    1. Vanhaelewyn, G; Lahorte, P; De Proft, F; Mondelaers, W; Geerlings, P; Callens, F
      Electron magnetic resonance study of stable radicals in irradiated D-fructose single crystals

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    2. Young, CG; Gable, RW; Hill, JP; George, GN
      Mononuclear thiomolybdenyl complexes - Synthesis and structural and spectroscopic characterization

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    3. Yagi, T; Morihashi, K; Kikuchi, O
      MC/MO study of the solvent effect on the excitation energies of the (CH3)(2)NO radical in hydrogen-bonding and non-hydrogen-bonding solvents

      JOURNAL OF PHYSICAL CHEMISTRY A
    4. Henry, DJ; Parkinson, CJ; Mayer, PM; Radom, L
      Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals

      JOURNAL OF PHYSICAL CHEMISTRY A
    5. Neese, F
      Theoretical study of ligand superhyperfine structure. Application to Cu(II) complexes

      JOURNAL OF PHYSICAL CHEMISTRY A
    6. Gutjahr, M; Poppl, A; Bohlmann, W; Bottcher, R
      Electron pair acceptor properties of alkali cations in zeolite Y: an electron spin resonance study of adsorbed di-tert-butyl nitroxide

      COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
    7. Agirbas, H; Toker, A
      Substituent effects on thermal rearrangement of 3-(substituted phenyl)-4-(p-tolyl)-1,2,4-oxadiazole-5(4H)-thiones

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    8. Deumal, M; Lafuente, P; Mota, F; Novoa, JJ
      A general study of the spin population of alpha-nitronyl nitroxide radicals: radicals with crystals presenting dominant ferro or antiferromagnetic behavior

      SYNTHETIC METALS
    9. Kanaya, T; Shiomi, D; Sato, K; Takui, T
      Single-component ferrimagnetics: triplet-doublet composite molecules as constituents of purely organic molecule-based ferrimagnets

      POLYHEDRON
    10. Yagi, T; Suzuki, T; Morihashi, K; Kikuchi, O
      MC/AMI-SCI study of the effect of hydration shells on the nitrogen hyperfine coupling constant of the (CH3)(2)NO radical in aqueous solution

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    11. Cherkasov, AR; Jonsson, M; Galkin, VI; Cherkasov, RA
      Correlation analysis in the chemistry of free radicals

      USPEKHI KHIMII
    12. Wen, Z; Li, ZC; Shang, ZF; Cheng, JP
      On the direction and magnitude of radical substituent effects: The role ofpolar interaction on thermodynamic stabilities of benzylic C-H bonds and related carbon radicals

      JOURNAL OF ORGANIC CHEMISTRY
    13. Pd, P; Chandra, P
      Ground and excited states of HNC, NH, and NH2 transients: Ab initio geometries, electronic structures, and molecular properties

      JOURNAL OF CHEMICAL PHYSICS
    14. Kiljunen, T; Eloranta, J; Ahokas, J; Kunttu, H
      Magnetic properties of atomic boron in rare gas matrices: An electron paramagnetic resonance study with ab initio and diatomics-in-molecules molecular dynamics analysis

      JOURNAL OF CHEMICAL PHYSICS
    15. McMaster, J; Carducci, MD; Yang, YS; Solomon, EI; Enemark, JH
      Electronic spectral studies of molybdenyl complexes. 2. MCD spectroscopy of [MoOS4](-) centers

      INORGANIC CHEMISTRY
    16. Hu, YM; Ishikawa, Y; Hirai, K; Tomioka, H
      Spectroscopic and product studies of the effect of para substituents on the reactivity of triplet bis(2,6-dimethylphenyl)carbenes

      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
    17. Jaszewski, AR; Jezierska, J
      An ab initio approach to the structure and EPR parameters of formaldiminoxy radical

      CHEMICAL PHYSICS LETTERS
    18. Weber, S; Mobius, K; Richter, G; Kay, CWM
      The electronic structure of the flavin cofactor in DNA photolyase

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    19. Percival, PW; Ghandi, K; Brodovitch, JC; Addison-Jones, B; McKenzie, I
      Detection of muoniated organic free radicals in supercritical water

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    20. Adamo, C; Barone, V; Subra, R
      The mechanism of spin polarization in aromatic free radicals

      THEORETICAL CHEMISTRY ACCOUNTS
    21. Ban, FQ; Gauld, JW; Boyd, RJ
      A density functional theory study of the radiation products of glycine

      JOURNAL OF PHYSICAL CHEMISTRY A
    22. Pan, DH; Shoute, LCT; Phillips, DL
      Time-resolved resonance Raman and density functional study of the radical cation of chlorpromazine

      JOURNAL OF PHYSICAL CHEMISTRY A
    23. Ghandi, K; Brodovitch, JC; Addison-Jones, B; Percival, PW; Schuth, J
      Hyperfine coupling constants of muonium in sub and supercritical water

      PHYSICA B
    24. Dilger, H; Roduner, E; Scheuermann, R; Major, J; Schefzik, M; Stosser, R; Pach, M; Fleming, DG
      Mass and temperature effects on the hyperfine coupling of atomic hydrogen isotopes in cages

      PHYSICA B
    25. Schuth, J; Percival, PW; Addison-Jones, B; Brodovitch, JC; Ghandi, K
      Zero frequency resonance: another way to measure muon-electron hyperfine constants

      PHYSICA B
    26. Wernsdorfer, W; Ohm, T; Sangregorio, C; Sessoli, R; Gatteschi, D; Paulsen, C
      Quantum hole digging in magnetic molecular clusters

      PHYSICA B
    27. Heberger, K; Lopata, A; Jazberenyi, JC
      Linear free-energy relationships in radical reactions part V - Separation of polar and enthalpy effects in radical addition reactions using polar (sigma) and radical (sigma(.)) sigma scales

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    28. Hu, YM; Hirai, K; Tomioka, H
      Effects of para-substituents on the reactivities of sterically congested triplet diphenylcarbenes

      CHEMISTRY LETTERS
    29. Braden, DA; Tyler, DR
      Density functional studies of 19-electron organometallic complexes: Investigation of possible ligand distortions and calculation of the EPR parameters and unpaired electron distributions in CpCr(CO)(2)No-, CpW(NO)(2)P(OMe)(3), CpMo(CO3)P(OMe)(3), and Co(CO)(3)(2,3-bis(diphenylphosphino)maleic anhydride)

      ORGANOMETALLICS
    30. Rhodes, CJ
      Radiolabelling studies of free radicals using muonium (the second hydrogenradioisotope)

      PROGRESS IN REACTION KINETICS AND MECHANISM
    31. Carmichael, I
      Theoretical studies on sulfur-containing radical ions

      NUKLEONIKA
    32. Itakura, H; Mizuno, H; Hirai, K; Tomioka, H
      Generation, characterization, and kinetics of triplet di[1,2,3,4,5,6,7,8-octahydro-1,4 : 5,8-di(ethano)anthryl]carbene

      JOURNAL OF ORGANIC CHEMISTRY
    33. Pak, MV; Gordon, MS
      Full configuration interaction and multiconfigurational spin density in boron and carbon atoms

      JOURNAL OF CHEMICAL PHYSICS
    34. Pecur, S; Klasinc, L; Stettmaier, K; Bors, W; McGlynn, SP
      Calculations and electron spin resonance spectra of syringic and sinapinicacid

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    35. Mader, ML; Carducci, MD; Enemark, JH
      Analogues for the molybdenum center of sulfite oxidase: Oxomolybdenum(V) complexes with three thiolate sulfur donor atoms

      INORGANIC CHEMISTRY
    36. Engstrom, M; Vahtras, O; Agren, H
      MCSCF and DFT calculations of EPR parameters of sulfur centered radicals

      CHEMICAL PHYSICS LETTERS
    37. Takayanagi, T; Kurosaki, Y; Yokoyama, K
      Ab initio molecular orbital calculations of potential energy surfaces for the N(S-4, D-2, P-2)+H-2 reactions

      CHEMICAL PHYSICS LETTERS
    38. Jaszewski, AR; Jezierska, J; Jezierski, A
      Hybrid density functional approach to the structures and EPR parameters ofsigma-type iminoxy radicals: the case of 3-oxobutan-2-iminoxyl

      CHEMICAL PHYSICS LETTERS
    39. Malkina, OL; Vaara, J; Schimmelpfennig, B; Munzarova, M; Malkin, VG; Kaupp, M
      Density functional calculations of electronic g-tensors using spin-orbit pseudopotentials and mean-field all-electron spin-orbit operators

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    40. Niemz, A; Cuello, A; Steffen, LK; Plummer, BF; Rotello, VM
      Electron confinement in structurally constrained sigma-bonded pi-systems. An experimental and density functional investigation

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    41. Joela, H; Lehtovuori, P
      EPR, ENDOR, TRIPLE resonance spectroscopy and MO studies on radical anion,neutral radical and radical cation of vitamin K-3 in a selection of solvents

      PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    42. Hu, YM; Hirai, K; Tomioka, H
      Effect of para substituents on the molecular and electronic structures of sterically congested triplet diphenylcarbenes

      JOURNAL OF PHYSICAL CHEMISTRY A
    43. Pan, D; Shoute, LCT; Phillips, DL
      Time-resolved resonance Raman and density functional study of the radical cation of promazine

      JOURNAL OF PHYSICAL CHEMISTRY A
    44. Ananchenko, GS; Purtov, PA; Bagryanskaya, EG; Sagdeev, RZ
      Low magnetic field dependence of the P-31 chemically induced dynamic nuclear polarization in the photolysis of a benzoyl phosphonate. Role of S-T- mechanism

      JOURNAL OF PHYSICAL CHEMISTRY A
    45. Adamo, C; di Matteo, A; Rey, P; Barone, V
      Tuning of structural and magnetic properties of nitronyl nitroxides by theenvironment. A combined experimental and computational study

      JOURNAL OF PHYSICAL CHEMISTRY A
    46. Marsal, P; Roche, M; Tordo, P; Claire, PD
      Thermal stability of O-H and O-alkyl bonds in N-alkoxyamines. A density functional theory approach

      JOURNAL OF PHYSICAL CHEMISTRY A
    47. Muh, F; Jones, MR; Lubitz, W
      Reorientation of the acetyl group of the photoactive bacteriopheophytin inreaction centers of Rhodobacter sphaeroides: An ENDOR TRIPLE resonance study

      BIOSPECTROSCOPY
    48. Chuvylkin, ND; Tokmachev, AM
      Evaluation of a new procedure for quantum-chemical estimates of constants of isotropic hyperfine coupling with protons in free radicals

      RUSSIAN CHEMICAL BULLETIN
    49. Chuvylkin, ND; Tokmachev, AM
      On quantum-chemical estimates of constants of isotropic hyperfine couplingwith protons in free radicals

      RUSSIAN CHEMICAL BULLETIN
    50. Chuvylkin, ND; Tokmachev, AM
      Evaluation of MNDO approximation in quantum-chemical calculations of anisotropic hyperfine coupling tensors in free radicals

      RUSSIAN CHEMICAL BULLETIN
    51. Fann, YC; Metosh-Dickey, CA; Winston, GW; Sygula, A; Rao, DNR; Kadiiska, MB; Mason, RP
      Enzymatic and nonenzymatic production of free radicals from the carcinogens 4-nitroquinoline N-oxide and 4-hydroxylaminoquinoline N-oxide

      CHEMICAL RESEARCH IN TOXICOLOGY
    52. Matsumoto, A
      ESR study of the radicals obtained from adducts of dialkyl itaconates withbromotrichloromethane

      JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
    53. Howes, BD; Kuhlmeyer, C; Pogni, R; Basosi, R
      An unusual temperature dependence of the EPR parameters of copper(II) and oxovanadium(IV) bis(acetylacetonate) complexes

      MAGNETIC RESONANCE IN CHEMISTRY
    54. Vatanen, V; Eloranta, JM; Vuolle, M
      EPR and MO calculation studies on alpha-aminoanthraquinone anion radicals in aprotic solvents

      MAGNETIC RESONANCE IN CHEMISTRY
    55. Al Badri, A; Jouaiti, A; Geoffroy, M
      Spin delocalization in radical anions containing two phosphaalkene groups:an EPR study

      MAGNETIC RESONANCE IN CHEMISTRY
    56. Parkinson, CJ; Mayer, PM; Radom, L
      An assessment of theoretical procedures for the calculation of reliable radical stabilization energies

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    57. Adamo, C; Cossi, M; Barone, V
      An accurate density functional method for the study of magnetic properties: the PBE0 model

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    58. Scholz, G; Stosser, R
      Molecular structures, vibrational frequencies and isotropic hyperfine coupling constants of FeF3 and MnF2: an ab initio molecular orbital study

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    59. Yamada, B; Westmoreland, DG; Kobatake, S; Konosu, O
      ESR spectroscopic studies of radical polymerization

      PROGRESS IN POLYMER SCIENCE
    60. Cavazza, M; Nucci, L; Pannocchia, E; Pardi, L; Pergola, F; Pinzino, C; Pietra, F
      Colchicine red-ox chemistry revisited: Cathodic behavior and EPR observation of an intermediate radical anion

      TETRAHEDRON
    61. Dopico, PG; Finn, MG
      Synthesis and cycloaromatization kinetics of aromatic allene enynes

      TETRAHEDRON
    62. Sakai, O; Shiina, R; Shiba, H; Thalmeier, P
      Antiferro-polarization of octupolar moment in phase III of CeB6 - Analysisof NMR spectra

      JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
    63. Liu, CJ; Yu, WY; Che, CM; Yeung, CH
      A mechanistic investigation of alkene epoxidation by sterically encumberedtrans-dioxoruthenium(VI) porphyrins

      JOURNAL OF ORGANIC CHEMISTRY
    64. Muller, HSP; Klein, H; Belov, SP; Winnewisser, G; Morino, I; Yamada, KMT; Saito, S
      Terahertz spectroscopy of the amidogen radical, NH2

      JOURNAL OF MOLECULAR SPECTROSCOPY
    65. Simard, B; Jakubek, Z; Niki, H; Balfour, WJ
      High resolution molecular beam study of the origin band of the (B)over-tilde(2)Sigma(+)-(X)over-tilde(2) Sigma(+) system of yttrium imide

      JOURNAL OF CHEMICAL PHYSICS
    66. Kalemos, A; Mavridis, A; Metropoulos, A
      An accurate description of the ground and excited states of CH

      JOURNAL OF CHEMICAL PHYSICS
    67. Namiki, KC; Steimle, TC
      Pure rotational spectrum of CaCH(3)X(2)A(1)) using the pump probe microwave-optical double resonance (PPMODR) technique

      JOURNAL OF CHEMICAL PHYSICS
    68. Knapp, MJ; Krzystek, J; Brunel, LC; Hendrickson, DN
      High-field EPR study of resonance-delocalized [Fe-2(OH)(3)(tmtacn)(2)](2+)

      INORGANIC CHEMISTRY
    69. Karna, SP; Kurtz, HA; Shedd, WM; Pugh, RD; Singaraju, BK
      New fundamental defects in a-SiO2

      IEEE TRANSACTIONS ON NUCLEAR SCIENCE
    70. Percival, PW; Addison-Jones, B; Brodovitch, JC; Ghandi, K; Schuth, J
      Free radicals formed by H(Mu) addition to pyrene

      CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
    71. O'Malley, PJ
      Density functional calculated spin densities and hyperfine couplings for hydrogen bonded 1,4-naphthosemiquinone and phyllosemiquinone anion radicals:a model for the A(1) free radical formed in photosystem I

      BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
    72. AITKEN MD; HECK PE
      TURNOVER CAPACITY OF COPRINUS-CINEREUS PEROXIDASE FOR PHENOL AND MONOSUBSTITUTED PHENOLS

      Biotechnology progress
    73. BOGGIOPASQUA M; HALVICK P; RAYEZ MT; RAYEZ JC; ROBBE JM
      AB-INITIO STUDY OF THE POTENTIAL-ENERGY SURFACES FOR THE REACTION C-]C-2+H(CH)

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    74. MISOCHKO EY; AKIMOV AV; GOLDSCHLEGER IU; WIGHT CA
      INFRARED AND EPR-SPECTRA OF F2NO RADICALS STABILIZED IN SOLID ARGON

      Mendeleev communications (Print)
    75. NEESE F; KAPPL R; HUTTERMANN J; ZUMFT WG; KRONECK PMH
      PROBING THE GROUND-STATE OF THE PURPLE MIXED-VALENCE CU-A CENTER IN NITROUS-OXIDE REDUCTASE - A CW ENDOR (X-BAND) STUDY OF THE CU-65, N-15-HISTIDINE LABELED ENZYME AND INTERPRETATION OF HYPERFINE COUPLINGS BY MOLECULAR-ORBITAL CALCULATIONS

      JBIC. Journal of biological inorganic chemistry
    76. Ding, WFX; Jiang, XK
      Correlation analysis of UV spectral data of some phenylhydrazones and semicarbazones by the dual-parameter equation. Observation of three types of behaviors of the lambda(max) values induced by the polar effects of substituents

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    77. PINZINO C; ANGELONE R; BENVENUTI F; CARLINI C; GALLETTI AMR; SBRANA G
      ELECTRON-PARAMAGNETIC-RESONANCE STUDIES ON OXIDATIVE POLYMERIZATION MECHANISM OF FURAN-DERIVATIVES

      Journal of polymer science. Part B, Polymer physics
    78. ELORANTA J; VUOLLE M
      TEMPERATURE-DEPENDENCE OF THE ISOTROPIC HYPERFINE COUPLING-CONSTANTS IN 1,4-HYDROQUINONE AND 1,4-DIHYDROXYNAPHTHALENE CATION RADICALS

      Magnetic resonance in chemistry
    79. CHACHATY C; MATHIEU C; MERCIER A; TORDO P
      ESR PARAMETERS AND DYNAMIC BEHAVIOR OF BETA-PHOSPHORYLATED NITROXIDE RADICALS IN GLYCEROL SOLUTION

      Magnetic resonance in chemistry
    80. VATANEN V; ELORANTA JM; VUOLLE M
      EPR AND ENDOR SPECTROSCOPY STUDIES ON ALPHA-AMINOANTHRAQUINONE RADICAL CATIONS IN SOLUTION

      Journal of the Chemical Society. Perkin transactions. II (Print)
    81. INADOMI Y; MORIHASHI K; KIKUCHI O
      AB-INITIO STUDY OF MOLECULAR-STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF 1,3,5-CYCLOHEPTATRIENE RADICAL-CATION

      Journal of molecular structure. Theochem
    82. BROCKS JJ; BECKHAUS HD; BECKWITH ALJ; RUCHARDT C
      ESTIMATION OF BOND-DISSOCIATION ENERGIES AND RADICAL STABILIZATION ENERGIES BY ESR SPECTROSCOPY

      Journal of organic chemistry
    83. FUNG WH; YU WY; CHE CM
      MECHANISTIC INVESTIGATION OF THE OXIDATION OF AROMATIC ALKENES BY MONOOXORUTHENIUM(IV) - ASYMMETRIC ALKENE EPOXIDATION BY CHIRAL MONOOXORUTHENIUM(IV) COMPLEXES

      Journal of organic chemistry
    84. ZHANG XM
      RADICAL SUBSTITUENT EFFECTS OF ALPHA-FLUORINE AND ALPHA-TRIFLUOROMETHYL GROUPS

      Journal of organic chemistry
    85. Barbosa, F; Peron, V; Gescheidt, G; Furstner, A
      Radical ions of crownophanes derived from tetraphenylethene. Solution structures and ion-pairing phenomena

      JOURNAL OF ORGANIC CHEMISTRY
    86. SCHMIDT C; PERIC M; MURTZ P; WIENKOOP M; HAVENITH M; URBAN W
      FARADAY LASER MAGNETIC-RESONANCE SPECTROSCOPY OF VIBRATIONALLY EXCITED C2D

      Journal of molecular spectroscopy (Print)
    87. Adamo, C; Subra, R; Di Matteo, A; Barone, V
      Structure and magnetic properties of benzyl, anilino, and phenoxyl radicals by density functional computations

      JOURNAL OF CHEMICAL PHYSICS
    88. Eriksson, LA; Jansson, CM; Arnold, DR; Boyd, RJ
      Cleavage of neutral alkenes and alkene radical cations; hybrid Hartree-Fock/density functional theory results

      CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
    89. JOLIBOIS F; CADET J; GRAND A; SUBRA R; REGA N; BARONE V
      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
    90. HERBERTZ T; ROTH HD
      STRUCTURE AND REACTIVITY OF VINYLCYCLOPROPANE RADICAL-CATION - ELECTRON-TRANSFER PHOTOCHEMISTRY AND AB-INITIO CALCULATIONS

      Journal of the American Chemical Society
    91. OMALLEY PJ
      HYBRID DENSITY-FUNCTIONAL STUDIES OF THE OXIDATION OF PHENOL-IMIDAZOLE HYDROGEN-BONDED COMPLEXES - A MODEL FOR TYROSINE OXIDATION IN OXYGENIC PHOTOSYNTHESIS

      Journal of the American Chemical Society
    92. BARONE V; BENCINI A; COSSI M; DIMATTEO A; MATTESINI M; TOTTI F
      ASSESSMENT OF A COMBINED QM MM APPROACH FOR THE STUDY OF LARGE NITROXIDE SYSTEMS IN-VACUO AND IN CONDENSED PHASES/

      Journal of the American Chemical Society
    93. HERBERTZ T; BLUME F; ROTH HD
      ELECTRON-TRANSFER PHOTOCHEMISTRY OF A BRIDGED NORCARADIENE - A MECHANISTIC PROBE FOR RADICAL-CATION NUCLEOPHILIC CAPTURE

      Journal of the American Chemical Society
    94. MORTON JR; NEGRI F; PRESTON KF
      ADDITION OF FREE-RADICALS TO C-60

      Accounts of chemical research
    95. BLOESS A; MOBIUS K; PRISNER TF
      HIGH-FREQUENCY HIGH-FIELD ELECTRON-SPIN ECHO ENVELOPE MODULATION STUDY OF NITROGEN HYPERFINE AND QUADRUPOLE INTERACTIONS ON A DISORDERED POWDER SAMPLE/

      Journal of magnetic resonance [1997]
    96. LAMOTTE B; MOUESCA JM
      IRON-SULFUR CLUSTERS - FASCINATING MAGNETIC-STRUCTURES AT THE HEART OF UBIQUITOUS PROTEINS

      Comptes rendus de l'Academie des sciences. Serie II. Mecanique, physique, chimie, astronomie
    97. GRAFTON AK; WHEELER RA
      A COMPARISON OF THE PROPERTIES OF VARIOUS FUSED-RING QUINONES AND THEIR RADICAL-ANIONS USING HARTREE-FOCK AND HYBRID HARTREE-FOCK DENSITY-FUNCTIONAL METHODS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    98. CARMICHAEL I
      ATOMIC SPIN-DENSITIES FROM CORRELATION-CONSISTENT BASIS-SETS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    99. SASAKI S; MATSUDA A; CHU CW
      ELECTRONIC-PROPERTIES OF K3C60 STUDIED BY C-13 NMR-SPECTRA

      Physica. C, Superconductivity
    100. ENGELS B
      AB-INITIO CALCULATIONS OF EPR PARAMETERS WITH STRONG VIBRONIC INTERACTIONS

      Acta chemica Scandinavica


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Documento generato il 25/01/21 alle ore 11:48:37