| Year |
Citation |
Score |
| 2005 |
Diefenbach A, de Jong GT, Bickelhaupt FM. Activation of H-H, C-H, C-C and C-Cl Bonds by Pd and PdCl(-). Understanding Anion Assistance in C-X Bond Activation. Journal of Chemical Theory and Computation. 1: 286-98. PMID 26641300 DOI: 10.1021/Ct0499478 |
0.649 |
|
| 2005 |
De Jong GT, Geerke DP, Diefenbach A, Solà M, Bickelhaupt FM. Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study. Journal of Computational Chemistry. 26: 1006-20. PMID 15880815 DOI: 10.1002/Jcc.20233 |
0.652 |
|
| 2005 |
Diefenbach A, De Jong GT, Bickelhaupt FM. Activation of H-H, C-H, C-C and C-Cl bonds by Pd and PdCl-. Understanding anion assistance in C-X bond activation Journal of Chemical Theory and Computation. 1: 286-298. DOI: 10.1021/ct0499478 |
0.533 |
|
| 2005 |
Diefenbach A, Bickelhaupt FM. Activation of C–H, C–C and C–I bonds by Pd and cis-Pd(CO)2I2. Catalyst–substrate adaptation Journal of Organometallic Chemistry. 690: 2191-2199. DOI: 10.1016/J.Jorganchem.2005.02.013 |
0.536 |
|
| 2005 |
De Jong GT, Geerke DP, Diefenbach A, Bickelhaupt FM. DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals Chemical Physics. 313: 261-270. DOI: 10.1016/J.Chemphys.2005.01.017 |
0.646 |
|
| 2005 |
De Jong GT, Geerke DP, Diefenbach A, Solà M, Bickelhaupt FM. Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study Journal of Computational Chemistry. 26: 1006-1020. DOI: 10.1002/jcc.20233 |
0.646 |
|
| 2002 |
Loschen C, Voigt K, Frunzke J, Diefenbach A, Diedenhofen M, Frenking G. Theoretical Studies of Inorganic Compounds. 19 1) Quantum Chemical Investigations of the Phosphane Complexes X3B‐PY3 and X3Al‐PY3 (X = H, F, Cl; Y = F, Cl, Me, CN) Zeitschrift FüR Anorganische Und Allgemeine Chemie. 628: 1294-1304. DOI: 10.1002/1521-3749(200206)628:6<1294::Aid-Zaac1294>3.0.Co;2-B |
0.302 |
|
| 2001 |
Diefenbach A, Bickelhaupt FM. Oxidative addition of Pd to C–H, C–C and C–Cl bonds: Importance of relativistic effects in DFT calculations The Journal of Chemical Physics. 115: 4030-4040. DOI: 10.1063/1.1388040 |
0.576 |
|
| 2001 |
Neumueller B, Schmock F, Kirmse R, Voigt A, Diefenbach A, Bickelhaupt FM, Dehnicke K. ChemInform Abstract: (Ph4P)S6 - A Compound Containing the Cyclic Radical Anion S6×-. Cheminform. 32: no-no. DOI: 10.1002/chin.200110015 |
0.373 |
|
| 2000 |
Neumüller B, Schmock F, Kirmse R, Voigt A, Diefenbach A, Bickelhaupt FM, Dehnicke K. (Ph(4)P)S(6)-A Compound Containing the Cyclic Radical Anion S(6)(.-) We thank the Deutsche Forschungsgemeinschaft (DFG) and the Fonds der Chemischen Industrie (FCI) for financial support. A.D. thanks the FCI for a doctoral stipendium. F.M.B. thanks the DFG for a Habilitation fellowship. Angewandte Chemie (International Ed. in English). 39: 4580-4582. PMID 11169676 DOI: 10.1002/1521-3773(20001215)39:24<4580::AID-ANIE4580>3.0.CO;2-G |
0.359 |
|
| 2000 |
Diefenbach A, Bickelhaupt FM, Frenking G. The Nature of the Transition Metal−Carbonyl Bond and the Question about the Valence Orbitals of Transition Metals. A Bond-Energy Decomposition Analysis of TM(CO)6q(TMq= Hf2-, Ta-, W, Re+, Os2+, Ir3+)† Journal of the American Chemical Society. 122: 6449-6458. DOI: 10.1021/Ja000663G |
0.495 |
|
| 1998 |
Bickelhaupt FM, Diefenbach A, De Visser SP, De Koning LJ, Nibbering NMM. Nature of the three-electron bond in H2S∴SH2 + Journal of Physical Chemistry A. 102: 9549-9553. DOI: 10.1021/Jp9820830 |
0.368 |
|
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