相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。A Pulsed EPR and DFT Investigation of the Stabilization of Coordinated Phenoxyl Radicals in a Series of Cobalt Schiff-Base Complexes
Evi Vinck et al.
APPLIED MAGNETIC RESONANCE (2010)
Probing the role of weak outer sphere interactions (H-bonds) in VO(3,5-tBu2-salophen) - Epoxide adducts by EPR, ENDOR and HYSCORE
E. Carter et al.
CHEMICAL PHYSICS LETTERS (2010)
Formation of a Cobalt(III)-Phenoxyl Radical Complex by Acetic Acid Promoted Aerobic Oxidation of a Co(II)salen Complex
Evi Vinck et al.
INORGANIC CHEMISTRY (2010)
Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling
Frank Neese
COORDINATION CHEMISTRY REVIEWS (2009)
On the mechanism of isospecific epoxide polymerization by salen cobalt(III) complexes: Evidence for solid-state catalysis
Hiroharu Ajiro et al.
DALTON TRANSACTIONS (2009)
Jacobsen's Catalyst for Hydrolytic Kinetic Resolution: Structure Elucidation of Paramagnetic Co(III) Salen Complexes in Solution via Combined NMR and Quantum Chemical Studies
Sebastian Kemper et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Enantioselective binding of structural epoxide isomers by a chiral vanadyl salen complex: a pulsed EPR, cw-ENDOR and DFT investigation
Damien M. Murphy et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Discrimination of geometrical epoxide isomers by ENDOR Spectroscopy and DFT calculations: The role of hydrogen bonds
Damien M. Murphy et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
The electronic structure of N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino cobalt(II)
Evi Vinck et al.
CHEMICAL PHYSICS LETTERS (2008)
Lewis Acid Catalyzed Asymmetric Cyanohydrin Synthesis
Michael North et al.
CHEMICAL REVIEWS (2008)
A short history of SHELX
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2008)
Making plastics from carbon dioxide:: Salen metal complexes as catalysts for the production of polycarbonates from epoxides and CO2
Donald J. Darensbourg
CHEMICAL REVIEWS (2007)
A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry
Frank Neese
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY (2006)
Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (Direct COSMO-RS)
S Sinnecker et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Copolymerization of cyclohexene oxide and carbon dioxide using (salen)Co(III) complexes: synthesis and characterization of syndiotactic poly(cyclohexene carbonate)
CT Cohen et al.
DALTON TRANSACTIONS (2006)
EasySpin, a comprehensive software package for spectral simulation and analysis in EPR
S Stoll et al.
JOURNAL OF MAGNETIC RESONANCE (2006)
Chromium- and manganese-salen promoted epoxidation of alkenes
EM McGarrigle et al.
CHEMICAL REVIEWS (2005)
Copper(II) complexes of thioether-substituted salcyen and salcyan derivatives and their silver(I) adducts
I Sylvestre et al.
DALTON TRANSACTIONS (2005)
Mechanistic investigation leads to a synthetic improvement in the hydrolytic kinetic resolution of terminal epoxides
LPC Nielsen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Direct observation of enantiomer discrimination of epoxides by chiral salen complexes using ENDOR
IA Fallis et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Discrete metal-based catalysts for the copolymerization CO2 and epoxides: Discovery, reactivity, optimization, and mechanism
GW Coates et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
Metal and ligand hyperfine couplings in transition metal complexes: The effect of spin-orbit coupling as studied by coupled perturbed Kohn-Sham theory
F Neese
JOURNAL OF CHEMICAL PHYSICS (2003)
A chiral salen vanadyl complex with two significantly different configurations in solid state: synthesis, characterization, and molecular structure
S Liang et al.
POLYHEDRON (2002)
Stereoselective recognition of an aziridine with a Co(III) complex: A potential transition-state analogue for catalytic epoxidation
R Bobb et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Highly selective hydrolytic kinetic resolution of terminal epoxides catalyzed by chiral (salen)CoIII complexes.: Practical synthesis of enantioenriched terminal epoxides and 1,2-diols
SE Schaus et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree-Fock and Kohn-Sham theory
F Neese
JOURNAL OF CHEMICAL PHYSICS (2001)
Relativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism
M Stein et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Theoretical study of ligand superhyperfine structure. Application to Cu(II) complexes
F Neese
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Asymmetric catalysis of epoxide ring opening reactions
EN Jacobsen
ACCOUNTS OF CHEMICAL RESEARCH (2000)