Related references
Note: Only part of the references are listed.The enantioselectivity of the manganese-salen complex in the epoxidation of unfunctionalized olefins and the influence of grafting
Thomas Bogaerts et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2015)
CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
Sebastian Wouters et al.
COMPUTER PHYSICS COMMUNICATIONS (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)
Mn-salen@MIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approach
Thomas Bogaerts et al.
CHEMICAL COMMUNICATIONS (2013)
The generalized active space concept in multiconfigurational self-consistent field methods
Dongxia Ma et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Efficient Asymmetric Sulfoxidation of Prochiral Sulfides Catalyzed by Chiral Salen-Mn(III) Complexes
BULLETIN OF THE KOREAN CHEMICAL SOCIETY (2010)
The calculation of thermodynamic properties of molecules
Veronique van Speybroeck et al.
CHEMICAL SOCIETY REVIEWS (2010)
TAMkin: A Versatile Package for Vibrational Analysis and Chemical Kinetics
An Ghysels et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Fe(salan)-catalyzed asymmetric oxidation of sulfides with hydrogen peroxide in water
Hiromichi Egami et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Metal-ligand bonding in metallocenes: Differentiation between spin state, electrostatic and covalent bonding
Marcel Swart
INORGANICA CHIMICA ACTA (2007)
Asymmetric oxidation of sulfides catalyzed by chiral (salen)Mn(III) complexes with a pyrrolidine backbone
Aiping Gao et al.
APPLIED ORGANOMETALLIC CHEMISTRY (2006)
The electronic structure of oxo-Mn(salen): Single-reference and multireference approaches
JS Sears et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
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)
Theoretical study of the low lying electronic states of oxoX(salen) (X = Mn, Mn-, Fe, and Cr-) complexes
J Ivanic et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Toward a catalytic cycle for the Mn-salen mediated alkene epoxidation: A computational approach
L Cavallo et al.
INORGANIC CHEMISTRY (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)
Accurate description of van der Waals complexes by density functional theory including empirical corrections
S Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (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)
Validation of exchange - Correlation functionals for spin states of iron complexes
M Swart et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
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)
Assessment of a new local exchange functional OPTX
WM Hoe et al.
CHEMICAL PHYSICS LETTERS (2001)
Coordination chemistry of manganese-salen complexes studied by electrospray tandem mass spectrometry: the significance of axial ligands
DA Plattner et al.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2000)
Share Paper
