Performance of the OPBE exchange-correlation functional M Swart, AW Ehlers, K Lammertsma* Molecular Physics 102 (23-24), 2467-2474, 2004 | 539 | 2004 |
Validation of exchange− correlation functionals for spin states of iron complexes M Swart, AR Groenhof, AW Ehlers, K Lammertsma The Journal of Physical Chemistry A 108 (25), 5479-5483, 2004 | 492 | 2004 |
Geminal phosphorus/Aluminum-based frustrated Lewis pairs: CH versus C≡ C activation and CO2 fixation C Appelt, H Westenberg, F Bertini, AW Ehlers, JC Slootweg, ... Angewandte Chemie-International Edition 50 (17), 3925-3928, 2011 | 371 | 2011 |
Nucleophilic phosphinidene complexes: access and applicability H Aktaş, JC Slootweg, K Lammertsma Angewandte Chemie International Edition 49 (12), 2102-2113, 2010 | 255 | 2010 |
Phosphinidenes K Lammertsma New Aspects in Phosphorus Chemistry III, 95-119, 2003 | 253 | 2003 |
Preorganized frustrated Lewis pairs F Bertini, V Lyaskovskyy, BJJ Timmer, FJJ De Kanter, M Lutz, AW Ehlers, ... Journal of the American Chemical Society 134 (1), 201-204, 2012 | 235 | 2012 |
Onium Ylide chemistry. 1. Bifunctional acid-base-catalyzed conversion of heterosubstituted methanes into ethylene and derived hydrocarbons. The onium ylide mechanism of the C1 … GA Olah, H Doggweiler, JD Felberg, S Frohlich, MJ Grdina, R Karpeles, ... Journal of the American Chemical Society 106 (7), 2143-2149, 1984 | 200 | 1984 |
Ab initio density functional computations of conformations and bond dissociation energies for hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine NJ Harris, K Lammertsma Journal of the American Chemical Society 119 (28), 6583-6589, 1997 | 195 | 1997 |
Electrophilic reactions at single bonds. 20. Selective monohalogenation of methane over supported acidic or platinum metal catalysts and hydrolysis of methyl halides over … GA Olah, B Gupta, JD Felberg, WM Ip, A Husain, R Karpeles, ... Journal of the American Chemical society 107 (24), 7097-7105, 1985 | 178 | 1985 |
Reaction of a P/Al‐Based Frustrated Lewis Pair with Ammonia, Borane, and Amine–Boranes: Adduct Formation and Catalytic Dehydrogenation C Appelt, JC Slootweg, K Lammertsma, W Uhl Angewandte Chemie International Edition 52 (15), 4256-4259, 2013 | 174 | 2013 |
Scarcity of rare earth elements MA De Boer, K Lammertsma ChemSusChem 6 (11), 2045-2055, 2013 | 160 | 2013 |
Organic dications: gas phase experiments and theory in concert K Lammertsma, P von Ragué Schleyer, H Schwarz Angewandte Chemie International Edition in English 28 (10), 1321-1341, 1989 | 159 | 1989 |
Stereomutation of pentavalent compounds: validating the Berry pseudorotation, redressing Ugi’s turnstile rotation, and revealing the two-and three-arm turnstiles EPA Couzijn, JC Slootweg, AW Ehlers, K Lammertsma Journal of the American Chemical Society 132 (51), 18127-18140, 2010 | 157 | 2010 |
Dimeric aluminum–phosphorus compounds as masked frustrated Lewis pairs for small molecule activation S Roters, C Appelt, H Westenberg, A Hepp, JC Slootweg, K Lammertsma, ... Dalton Transactions 41 (30), 9033-9045, 2012 | 153 | 2012 |
Carbene‐Like Chemistry of Phosphinidene Complexes− Reactions, Applications, and Mechanistic Insights K Lammertsma, MJM Vlaar European Journal of Organic Chemistry 2002 (7), 1127-1138, 2002 | 152 | 2002 |
Nucleophilic or Electrophilic Phosphinidene Complexes MLnPH; What Makes the Difference? AW Ehlers, EJ Baerends, K Lammertsma Journal of the American Chemical Society 124 (11), 2831-2838, 2002 | 140 | 2002 |
Electronic ground states of iron porphyrin and of the first species in the catalytic reaction cycle of cytochrome P450s AR Groenhof, M Swart, AW Ehlers, K Lammertsma The Journal of Physical Chemistry A 109 (15), 3411-3417, 2005 | 133 | 2005 |
Carbodications. 6. the ethylene dication: a theoretical study of the ethylene dication (c2h42+) potential-energy surface K Lammertsma, M Barzaghi, GA Olah, JA Pople, AJ Kos, PR Schleyer Journal of the American Chemical Society 105 (16), 5252-5257, 1983 | 129* | 1983 |
A phosphorus/aluminum-based frustrated Lewis pair as an ion pair receptor: alkali metal hydride adducts and phase-transfer catalysis C Appelt, JC Slootweg, K Lammertsma, W Uhl Angewandte Chemie-International Edition 51 (24), 5911-5914, 2012 | 124 | 2012 |
Consistent theoretical description of 1, 3-dipolar cycloaddition reactions S Grimme, C Mück-Lichtenfeld, EU Würthwein, AW Ehlers, TPM Goumans, ... The Journal of Physical Chemistry A 110 (8), 2583-2586, 2006 | 118 | 2006 |