| 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 | 2395 | 1996 |
| 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 | 356 | 1996 |
| 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 | 248 | 2001 |
| 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 | 212 | 1997 |
| 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 | 206 | 1995 |
| 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 | 181 | 2011 |
| 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 | 158 | 1992 |
| 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 | 146 | 1999 |
| 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 | 145 | 1995 |
| 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 | 140 | 1996 |
| 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 | 138 | 1997 |
| 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 | 137 | 1997 |
| 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 | 137 | 1994 |
| 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 | 131 | 2002 |
| 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 | 128 | 1993 |
| 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 | 126 | 1999 |
| 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 | 122 | 2003 |
| 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 | 118 | 1998 |
| 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 | 118 | 1994 |
| 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 | 106 | 1993 |
Hanno EssénDocent teoretisk fysik, retired from KTH Mekanik確認したメール アドレス: mech.kth.se