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Electron magnetic resonance study of stable radicals in irradiated D-fructose single crystals
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Mononuclear thiomolybdenyl complexes - Synthesis and structural and spectroscopic characterization
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
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
Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals
JOURNAL OF PHYSICAL CHEMISTRY A
Theoretical study of ligand superhyperfine structure. Application to Cu(II) complexes
JOURNAL OF PHYSICAL CHEMISTRY A
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
Substituent effects on thermal rearrangement of 3-(substituted phenyl)-4-(p-tolyl)-1,2,4-oxadiazole-5(4H)-thiones
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
A general study of the spin population of alpha-nitronyl nitroxide radicals: radicals with crystals presenting dominant ferro or antiferromagnetic behavior
SYNTHETIC METALS
Single-component ferrimagnetics: triplet-doublet composite molecules as constituents of purely organic molecule-based ferrimagnets
POLYHEDRON
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
Correlation analysis in the chemistry of free radicals
USPEKHI KHIMII
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
Ground and excited states of HNC, NH, and NH2 transients: Ab initio geometries, electronic structures, and molecular properties
JOURNAL OF CHEMICAL PHYSICS
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
Electronic spectral studies of molybdenyl complexes. 2. MCD spectroscopy of [MoOS4](-) centers
INORGANIC CHEMISTRY
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
An ab initio approach to the structure and EPR parameters of formaldiminoxy radical
CHEMICAL PHYSICS LETTERS
The electronic structure of the flavin cofactor in DNA photolyase
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Detection of muoniated organic free radicals in supercritical water
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
The mechanism of spin polarization in aromatic free radicals
THEORETICAL CHEMISTRY ACCOUNTS
A density functional theory study of the radiation products of glycine
JOURNAL OF PHYSICAL CHEMISTRY A
Time-resolved resonance Raman and density functional study of the radical cation of chlorpromazine
JOURNAL OF PHYSICAL CHEMISTRY A
Hyperfine coupling constants of muonium in sub and supercritical water
PHYSICA B
Mass and temperature effects on the hyperfine coupling of atomic hydrogen isotopes in cages
PHYSICA B
Zero frequency resonance: another way to measure muon-electron hyperfine constants
PHYSICA B
Quantum hole digging in magnetic molecular clusters
PHYSICA B
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
Effects of para-substituents on the reactivities of sterically congested triplet diphenylcarbenes
CHEMISTRY LETTERS
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
Radiolabelling studies of free radicals using muonium (the second hydrogenradioisotope)
PROGRESS IN REACTION KINETICS AND MECHANISM
Theoretical studies on sulfur-containing radical ions
NUKLEONIKA
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
Full configuration interaction and multiconfigurational spin density in boron and carbon atoms
JOURNAL OF CHEMICAL PHYSICS
Calculations and electron spin resonance spectra of syringic and sinapinicacid
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Analogues for the molybdenum center of sulfite oxidase: Oxomolybdenum(V) complexes with three thiolate sulfur donor atoms
INORGANIC CHEMISTRY
MCSCF and DFT calculations of EPR parameters of sulfur centered radicals
CHEMICAL PHYSICS LETTERS
Ab initio molecular orbital calculations of potential energy surfaces for the N(S-4, D-2, P-2)+H-2 reactions
CHEMICAL PHYSICS LETTERS
Hybrid density functional approach to the structures and EPR parameters ofsigma-type iminoxy radicals: the case of 3-oxobutan-2-iminoxyl
CHEMICAL PHYSICS LETTERS
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
Electron confinement in structurally constrained sigma-bonded pi-systems. An experimental and density functional investigation
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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
Effect of para substituents on the molecular and electronic structures of sterically congested triplet diphenylcarbenes
JOURNAL OF PHYSICAL CHEMISTRY A
Time-resolved resonance Raman and density functional study of the radical cation of promazine
JOURNAL OF PHYSICAL CHEMISTRY A
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
Tuning of structural and magnetic properties of nitronyl nitroxides by theenvironment. A combined experimental and computational study
JOURNAL OF PHYSICAL CHEMISTRY A
Thermal stability of O-H and O-alkyl bonds in N-alkoxyamines. A density functional theory approach
JOURNAL OF PHYSICAL CHEMISTRY A
Reorientation of the acetyl group of the photoactive bacteriopheophytin inreaction centers of Rhodobacter sphaeroides: An ENDOR TRIPLE resonance study
BIOSPECTROSCOPY
Evaluation of a new procedure for quantum-chemical estimates of constants of isotropic hyperfine coupling with protons in free radicals
RUSSIAN CHEMICAL BULLETIN
On quantum-chemical estimates of constants of isotropic hyperfine couplingwith protons in free radicals
RUSSIAN CHEMICAL BULLETIN
Evaluation of MNDO approximation in quantum-chemical calculations of anisotropic hyperfine coupling tensors in free radicals
RUSSIAN CHEMICAL BULLETIN
Enzymatic and nonenzymatic production of free radicals from the carcinogens 4-nitroquinoline N-oxide and 4-hydroxylaminoquinoline N-oxide
CHEMICAL RESEARCH IN TOXICOLOGY
ESR study of the radicals obtained from adducts of dialkyl itaconates withbromotrichloromethane
JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
An unusual temperature dependence of the EPR parameters of copper(II) and oxovanadium(IV) bis(acetylacetonate) complexes
MAGNETIC RESONANCE IN CHEMISTRY
EPR and MO calculation studies on alpha-aminoanthraquinone anion radicals in aprotic solvents
MAGNETIC RESONANCE IN CHEMISTRY
Spin delocalization in radical anions containing two phosphaalkene groups:an EPR study
MAGNETIC RESONANCE IN CHEMISTRY
An assessment of theoretical procedures for the calculation of reliable radical stabilization energies
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
An accurate density functional method for the study of magnetic properties: the PBE0 model
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Molecular structures, vibrational frequencies and isotropic hyperfine coupling constants of FeF3 and MnF2: an ab initio molecular orbital study
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
ESR spectroscopic studies of radical polymerization
PROGRESS IN POLYMER SCIENCE
Colchicine red-ox chemistry revisited: Cathodic behavior and EPR observation of an intermediate radical anion
TETRAHEDRON
Synthesis and cycloaromatization kinetics of aromatic allene enynes
TETRAHEDRON
Antiferro-polarization of octupolar moment in phase III of CeB6 - Analysisof NMR spectra
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
A mechanistic investigation of alkene epoxidation by sterically encumberedtrans-dioxoruthenium(VI) porphyrins
JOURNAL OF ORGANIC CHEMISTRY
Terahertz spectroscopy of the amidogen radical, NH2
JOURNAL OF MOLECULAR SPECTROSCOPY
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
An accurate description of the ground and excited states of CH
JOURNAL OF CHEMICAL PHYSICS
Pure rotational spectrum of CaCH(3)X(2)A(1)) using the pump probe microwave-optical double resonance (PPMODR) technique
JOURNAL OF CHEMICAL PHYSICS
High-field EPR study of resonance-delocalized [Fe-2(OH)(3)(tmtacn)(2)](2+)
INORGANIC CHEMISTRY
New fundamental defects in a-SiO2
IEEE TRANSACTIONS ON NUCLEAR SCIENCE
Free radicals formed by H(Mu) addition to pyrene
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
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
TURNOVER CAPACITY OF COPRINUS-CINEREUS PEROXIDASE FOR PHENOL AND MONOSUBSTITUTED PHENOLS
Biotechnology progress
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
INFRARED AND EPR-SPECTRA OF F2NO RADICALS STABILIZED IN SOLID ARGON
Mendeleev communications (Print)
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
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
ELECTRON-PARAMAGNETIC-RESONANCE STUDIES ON OXIDATIVE POLYMERIZATION MECHANISM OF FURAN-DERIVATIVES
Journal of polymer science. Part B, Polymer physics
TEMPERATURE-DEPENDENCE OF THE ISOTROPIC HYPERFINE COUPLING-CONSTANTS IN 1,4-HYDROQUINONE AND 1,4-DIHYDROXYNAPHTHALENE CATION RADICALS
Magnetic resonance in chemistry
ESR PARAMETERS AND DYNAMIC BEHAVIOR OF BETA-PHOSPHORYLATED NITROXIDE RADICALS IN GLYCEROL SOLUTION
Magnetic resonance in chemistry
EPR AND ENDOR SPECTROSCOPY STUDIES ON ALPHA-AMINOANTHRAQUINONE RADICAL CATIONS IN SOLUTION
Journal of the Chemical Society. Perkin transactions. II (Print)
AB-INITIO STUDY OF MOLECULAR-STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF 1,3,5-CYCLOHEPTATRIENE RADICAL-CATION
Journal of molecular structure. Theochem
ESTIMATION OF BOND-DISSOCIATION ENERGIES AND RADICAL STABILIZATION ENERGIES BY ESR SPECTROSCOPY
Journal of organic chemistry
MECHANISTIC INVESTIGATION OF THE OXIDATION OF AROMATIC ALKENES BY MONOOXORUTHENIUM(IV) - ASYMMETRIC ALKENE EPOXIDATION BY CHIRAL MONOOXORUTHENIUM(IV) COMPLEXES
Journal of organic chemistry
RADICAL SUBSTITUENT EFFECTS OF ALPHA-FLUORINE AND ALPHA-TRIFLUOROMETHYL GROUPS
Journal of organic chemistry
Radical ions of crownophanes derived from tetraphenylethene. Solution structures and ion-pairing phenomena
JOURNAL OF ORGANIC CHEMISTRY
FARADAY LASER MAGNETIC-RESONANCE SPECTROSCOPY OF VIBRATIONALLY EXCITED C2D
Journal of molecular spectroscopy (Print)
Structure and magnetic properties of benzyl, anilino, and phenoxyl radicals by density functional computations
JOURNAL OF CHEMICAL PHYSICS
Cleavage of neutral alkenes and alkene radical cations; hybrid Hartree-Fock/density functional theory results
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
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
STRUCTURE AND REACTIVITY OF VINYLCYCLOPROPANE RADICAL-CATION - ELECTRON-TRANSFER PHOTOCHEMISTRY AND AB-INITIO CALCULATIONS
Journal of the American Chemical Society
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
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
ELECTRON-TRANSFER PHOTOCHEMISTRY OF A BRIDGED NORCARADIENE - A MECHANISTIC PROBE FOR RADICAL-CATION NUCLEOPHILIC CAPTURE
Journal of the American Chemical Society
ADDITION OF FREE-RADICALS TO C-60
Accounts of chemical research
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]
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
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
ATOMIC SPIN-DENSITIES FROM CORRELATION-CONSISTENT BASIS-SETS
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
ELECTRONIC-PROPERTIES OF K3C60 STUDIED BY C-13 NMR-SPECTRA
Physica. C, Superconductivity
AB-INITIO CALCULATIONS OF EPR PARAMETERS WITH STRONG VIBRONIC INTERACTIONS
Acta chemica Scandinavica