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。Charge Distribution in Mn( salen) Complexes
Filipe Teixeira et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2014)
Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)
Sebastian Wouters et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Alkene epoxidation by manganese(III) complexes immobilized onto nanostructured carbon CMK-3
H. Gaspar et al.
CATALYSIS TODAY (2013)
Epoxidation of styrene catalyzed by mesoporous propylthiol group-functionalized silica supported manganese(III) salen complexes with different pore morphologies
Ling Ma et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2013)
The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase
Yury Minenkov et al.
DALTON TRANSACTIONS (2012)
Chiral Salen Mn(III) Complex Axial Coordination Immobilized on Diamine Modified Alspp and Highly Efficient Large-Scale Epoxidation of Olefins as a Recoverable Catalyst
Ziyong Jia et al.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS (2012)
Elucidating steric effects on enantioselective epoxidation catalyzed by (salen)Mn in metal-organic frameworks
Gloria A. E. Oxford et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2011)
Mesoporous silicas functionalized with aminopropyl via co-condensation: Effective supports for chiral Mn(III) salen complex
Lan-Lan Lou et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2011)
Assessing the Performance of Density Functional Theory For the Electronic Structure of Metal-Salens: The M06 Suite of Functionals and the d4-Metals
Tait Takatani et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Improving the detection of significant factors using ANOVA-PCA by selective reduction of residual variability
R. Climaco-Pinto et al.
ANALYTICA CHIMICA ACTA (2009)
Enantioselective Epoxidation of Alkenes by Jacobsen Catalyst Anchored onto Aminopropyl-functionalised Laponite, MCM-41 and FSM-16
Pankaj Das et al.
CATALYSIS LETTERS (2009)
Origin of Enantioselectivity in the Jacobsen Epoxidation of Olefins
Laszlo Kuerti et al.
ORGANIC LETTERS (2009)
Assessing the performance of density functional theory for the electronic structure of metal-salens:: The d2-metals
John S. Sears et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Enantioselectivity of immobilized Mn-salen complexes: A computational study
Kourosh Malek et al.
JOURNAL OF CATALYSIS (2007)
Chiral salen complexes: An overview to recoverable and reusable homogeneous and heterogeneous catalysts
Carlos Baleizao et al.
CHEMICAL REVIEWS (2006)
Quantitative structure-activity relationships of ruthenium catalysts for olefin metathesis
Giovanni Occhipinti et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
The electronic structure of oxo-Mn(salen): Single-reference and multireference approaches
JS Sears et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Donor-ligand effect on the product distribution in the manganese-catalyzed epoxidation of olefins: A computational assessment
H Jacobsen et al.
ORGANOMETALLICS (2006)
Chromium- and manganese-salen promoted epoxidation of alkenes
EM McGarrigle et al.
CHEMICAL REVIEWS (2005)
(salen)MnIII compounds as nonpeptidyl mimics of catalase.: Mechanism-based tuning of catalase activity:: A theoretical study
YG Abashkin et al.
INORGANIC CHEMISTRY (2005)
Continuous chirality measures in transition metal chemistry
S Alvarez et al.
CHEMICAL SOCIETY REVIEWS (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems
X Xu et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Epoxidation of unfunctionalized olefins by Mn(salen) catalyst using organic peracids as oxygen source: A theoretical study
IV Khavrutskii et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Toward a catalytic cycle for the Mn-salen mediated alkene epoxidation: A computational approach
L Cavallo et al.
INORGANIC CHEMISTRY (2004)
The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties
X Xu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
(Salen)Mn(III) compound as a nonpeptidyl mimic of catalase: DFT study of the metal oxidation by a peroxide molecule
YG Abashkin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
(Salen)Mn-catalyzed epoxidation of alkenes: A two-zone process with different spin-state channels as suggested by DFT study
YG Abashkin et al.
ORGANIC LETTERS (2004)
Re-evaluation of the Mn(salen) mediated epoxidation of alkenes by means of the B3LYP*density functional
H Jacobsen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
Electronic effects in (salen)Mn-based epoxidation catalysts
L Cavallo et al.
JOURNAL OF ORGANIC CHEMISTRY (2003)
Transition metal mediated epoxidation as test case for the performance of different density functionals: A Computational Study
L Cavallo et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
(Salen)Mn(III)-catalyzed epoxidation reaction as a multichannel process with different spin states. Electronic tuning of asymmetric catalysis: A theoretical study
YG Abashkin et al.
INORGANIC CHEMISTRY (2001)
分享论文
