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Mats Svensson
Mats Svensson
Unknown affiliation
Verified email at schrodinger.com
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ONIOM: A multilayered integrated MO+ MM method for geometry optimizations and single point energy predictions. A test for Diels-Alder reactions and Pt (P (t-Bu) 3) 2+ H2 …
M Svensson, S Humbel, RDJ Froese, T Matsubara, S Sieber, K Morokuma
The Journal of Physical Chemistry 100 (50), 19357-19363, 1996
23331996
Energetics using the single point IMOMO (integrated molecular orbital+ molecular orbital) calculations: Choices of computational levels and model system
M Svensson, S Humbel, K Morokuma
The Journal of chemical physics 105 (9), 3654-3661, 1996
3481996
Mechanism of ring-opening polymerization of 1, 5-dioxepan-2-one and L-lactide with stannous 2-ethylhexanoate. A theoretical study
M Ryner, K Stridsberg, AC Albertsson, H von Schenck, M Svensson
Macromolecules 34 (12), 3877-3881, 2001
2452001
Gas phase reactions of second-row transition metal atoms with small hydrocarbons: experiment and theory
JJ Carroll, KL Haug, JC Weisshaar, MRA Blomberg, PEM Siegbahn, ...
The Journal of Physical Chemistry 99 (38), 13955-13969, 1995
2061995
A density functional study of the mechanism of the diimine− nickel-catalyzed ethylene polymerization reaction
DG Musaev, RDJ Froese, M Svensson, K Morokuma
Journal of the American Chemical Society 119 (2), 367-374, 1997
2031997
2-thioxanthines are mechanism-based inactivators of myeloperoxidase that block oxidative stress during inflammation
AK Tidén, T Sjögren, M Svensson, A Bernlind, R Senthilmohan, ...
Journal of Biological Chemistry 286 (43), 37578-37589, 2011
1712011
Mechanisms for the reactions between methane and the neutral transition metal atoms from yttrium to palladium
MRA Blomberg, PEM Siegbahn, M Svensson
Journal of the American Chemical Society 114 (15), 6095-6102, 1992
1521992
Comparisons of results from parametrized configuration interaction (PCI‐80) and from hybrid density functional theory with experiments for first row transition metal compounds
MRA Blomberg, PEM Siegbahn, M Svensson
The Journal of chemical physics 104 (23), 9546-9554, 1996
1481996
TIMING IS CRITICAL: EFFECT OF SPIN CHANGES ON THE DIASTEREOSELECTIVITY INMN (SALEN)-CATALYZED EPOXIDATION
C Linde, B Akermark, PO Norrby, M Svensson
Journal of the American Chemical Society 121 (21), 5083-5084, 1999
1471999
N2 Cleavage by Three-Coordinate Group 6 Complexes. W (III) Complexes Would Be Better Than Mo (III) Complexes
Q Cui, DG Musaev, M Svensson, S Sieber, K Morokuma
Journal of the American Chemical Society 117 (49), 12366-12367, 1995
1441995
PCI-X, a parametrized correlation method containing a single adjustable parameter X
PEM Siegbahn, MRA Blomberg, M Svensson
Chemical physics letters 223 (1-2), 35-45, 1994
1401994
IMOMO (G2MS): a new high-level G2-like method for large molecules and its applications to Diels− Alder reactions
RDJ Froese, S Humbel, M Svensson, K Morokuma
The Journal of Physical Chemistry A 101 (2), 227-233, 1997
1371997
density functional study of the mechanism of the Palladium (II)-catalyzed ethylene polymerization reaction
DG Musaev, M Svensson, K Morokuma, S Strömberg, K Zetterberg, ...
Organometallics 16 (9), 1933-1945, 1997
1321997
The effects of covalent ligands on the oxidative addition reaction between second-row transition-metal atoms and methane
PEM Siegbahn, MRA Blomberg, M Svensson
Journal of the American Chemical Society 115 (10), 4191-4200, 1993
1271993
Ring-opening polymerization of lactones and lactides with Sn (IV) and Al (III) initiators
H von Schenck, M Ryner, AC Albertsson, M Svensson
Macromolecules 35 (5), 1556-1562, 2002
1252002
Reaction of second-row transition-metal cations with methane
MRA Blomberg, PEM Siegbahn, M Svensson
The Journal of Physical Chemistry 98 (8), 2062-2071, 1994
1211994
Electronic control of the regiochemistry in the Heck reaction
H von Schenck, B Åkermark, M Svensson
Journal of the American Chemical Society 125 (12), 3503-3508, 2003
1192003
An exploratory study of regiocontrol in the Heck type reaction. Influence of solvent polarity and bisphosphine ligands
M Ludwig, S Strömberg, M Svensson, B Åkermark
Organometallics 18 (6), 970-975, 1999
1191999
Nitrogen fixation by nitrogenases: A quantum chemical study
PEM Siegbahn, J Westerberg, M Svensson, RH Crabtree
The Journal of Physical Chemistry B 102 (9), 1615-1623, 1998
1151998
A theoretical study of the activation of the carbon-hydrogen bond in ethylene by second-row transition-metal atoms
PEM Siegbahn, MRA Blomberg, M Svensson
Journal of the American Chemical Society 115 (5), 1952-1958, 1993
1041993
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