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Polarization-induced σ-holes and hydrogen bonding.
Hennemann M, Murray JS, Politzer P, Riley KE, Clark T. Hennemann M, et al. Among authors: clark t. J Mol Model. 2012 Jun;18(6):2461-9. doi: 10.1007/s00894-011-1263-5. Epub 2011 Oct 21. J Mol Model. 2012. PMID: 22015592
P(6) Manganocene and P(3) Cymantrene: Consequences of the Inclusion of Phosphorus Atoms in Mn-Coordinated Cyclopentadienyl Ligands This work was supported by the Deutsche Forschungsgemeinschaft and the Fonds der Chemischen Industrie. A.E., M.H., and M.Z. thank the DFG-Graduiertenkolleg ("Phosphorchemie als Bindeglied verschiedener chemischer Disziplinen" of the University of Kaiserslautern) and M.Z. also thanks the Studienstiftung des Deutschen Volkes for fellowships.
Clark T, Elvers A, Heinemann FW, Hennemann M, Zeller M, Zenneck U. Clark T, et al. Angew Chem Int Ed Engl. 2000 Jun 16;39(12):2087-2091. doi: 10.1002/1521-3773(20000616)39:12<2087::aid-anie2087>3.0.co;2-b. Angew Chem Int Ed Engl. 2000. PMID: 10941023 No abstract available.
AM1* parameters for phosphorus, sulfur and chlorine.
Winget P, Horn AH, Selçuki C, Martin B, Clark T. Winget P, et al. Among authors: clark t. J Mol Model. 2003 Dec;9(6):408-14. doi: 10.1007/s00894-003-0156-7. Epub 2003 Sep 4. J Mol Model. 2003. PMID: 12955599
Surface-integral QSPR models: local energy properties.
Ehresmann B, de Groot MJ, Clark T. Ehresmann B, et al. Among authors: clark t. J Chem Inf Model. 2005 Jul-Aug;45(4):1053-60. doi: 10.1021/ci050025n. J Chem Inf Model. 2005. PMID: 16045301
3,145 results