| 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 + … M Svensson, S Humbel, RDJ Froese, T Matsubara, S Sieber, K Morokuma The Journal of Physical Chemistry 100 (50), 19357-19363, 1996 | 2339 | 1996 |
| The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for n‐butane conformation and SN2 … S Humbel, S Sieber, K Morokuma The Journal of chemical physics 105 (5), 1959-1967, 1996 | 890 | 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 | 349 | 1996 |
| Compact valence bond functions with breathing orbitals: Application to the bond dissociation energies of F2 and FH PC Hiberty, S Humbel, CP Byrman, JH van Lenthe The Journal of chemical physics 101 (7), 5969-5976, 1994 | 218 | 1994 |
| 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 | 137 | 1997 |
| Diffusion coefficients of additives in polymers. I. Correlation with geometric parameters A Reynier, P Dole, S Humbel, A Feigenbaum Journal of Applied Polymer Science 82 (10), 2422-2433, 2001 | 117 | 2001 |
| Nature of the differential electron correlation in Three-Electron bond dissociations. efficiency of a simple Two-Configuration valence bond method with breathing orbitals PC Hiberty, S Humbel, P Archirel The Journal of Physical Chemistry 98 (45), 11697-11704, 1994 | 114 | 1994 |
| Diastereoselective Tandem Addition− Cyclization Reactions of Unsaturated Tertiary Amines Initiated by Photochemical Electron Transfer (PET) S Bertrand, N Hoffmann, S Humbel, JP Pete The Journal of Organic Chemistry 65 (25), 8690-8703, 2000 | 102 | 2000 |
| Froesc RDJ, Matsubara T, Siober S M Svensson, S Humbel Morokuma KJ Phys. Chem 100, 19, 1996 | 88 | 1996 |
| What Is Physically Wrong with the Description of Odd-Electron Bonding by Hartree-Fock Theory? A Simple Nonempirical Remedy PC Hiberty, S Humbel, D Danovich, S Shaik Journal of the American Chemical Society 117 (35), 9003-9011, 1995 | 67 | 1995 |
| Configurational stability of chlorophosphines S Humbel, C Bertrand, C Darcel, C Bauduin, S Jugé Inorganic chemistry 42 (2), 420-427, 2003 | 60 | 2003 |
| Tandem mass spectrometry of doubly charged poly (ethylene oxide) oligomers produced by electrospray ionization M Girod, Y Carissan, S Humbel, L Charles International Journal of Mass Spectrometry 272 (1), 1-11, 2008 | 55 | 2008 |
| Short strong hydrogen bonds: A valence bond analysis S Humbel The Journal of Physical Chemistry A 106 (22), 5517-5520, 2002 | 53 | 2002 |
| From prochiral N-heterocyclic carbenes to optically pure metal complexes: New opportunities in asymmetric catalysis L Kong, J Morvan, D Pichon, M Jean, M Albalat, T Vives, ... Journal of the American Chemical Society 142 (1), 93-98, 2019 | 45 | 2019 |
| Tandem mass spectrometry of trimethylsilyl-terminated poly (dimethylsiloxane) ammonium adducts generated by electrospray ionization T Fouquet, S Humbel, L Charles Journal of The American Society for Mass Spectrometry 22 (4), 649-658, 2011 | 44 | 2011 |
| Hückel-Lewis projection method: A “weights watcher” for mesomeric structures Y Carissan, D Hagebaum-Reignier, N Goudard, S Humbel The Journal of Physical Chemistry A 112 (50), 13256-13262, 2008 | 44 | 2008 |
| Role of the adducted cation in the release of nitroxide end group of controlled polymer in mass spectrometry M Mazarin, M Girod, S Viel, TNT Phan, SRA Marque, S Humbel, L Charles Macromolecules 42 (6), 1849-1859, 2009 | 43 | 2009 |
| Simultaneous control of central and helical chiralities: expedient helicoselective synthesis of dioxa [6] helicenes P Liu, X Bao, JV Naubron, S Chentouf, S Humbel, N Vanthuyne, M Jean, ... Journal of the American Chemical Society 142 (38), 16199-16204, 2020 | 40 | 2020 |
| Three-electron binding between carbonyl-like compounds and ammonia radical cation. comparison with the hydrogen bonded complex S Humbel, I Coˆte, N Hoffmann, J Bouquant Journal of the American Chemical Society 121 (23), 5507-5512, 1999 | 37 | 1999 |
| Bonding of gold with unsaturated species P Nava, D Hagebaum‐Reignier, S Humbel ChemPhysChem 13 (8), 2090-2096, 2012 | 35 | 2012 |
Mats SvenssonVerified email at schrodinger.com
