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The top documents tagged [polarization functions]
Metal-Phosphine Bonding Revisited. @-Basicity, Pi- Acidity, And the Role of Phosphorus d Orbitals in Zerovalent Metal-phosphine Complexes
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Quantum Mechanics and Force Fields Hartree-Fock revisited Semi-Empirical Methods Basis sets Post Hartree-Fock Methods Atomic Charges and Multipoles QM
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1 [Ni 0 L]-catalyzed cyclodimerization of butadiene: A computational study based on the generic [Ni 0 (butadiene) 2 PH 3 ] catalyst. Sven Tobisch and Tom
217 views
A Theoretical Investigation of the Dormant & Active Species in MAO (Methylaluminoxane)- Activated, Cp 2 ZrMe 2 -Catalyzed Olefin Polymerization Eva Zurek,
238 views
Graham N. George X-ray Absorption Spectroscopy of Molybdenum Enzymes Graham N. George
225 views
ON A METASTABLE CONFIGURATION AT THE H- TERMINATED (100) Si SURFACE Giacomo Giorgi Dipartimento di Chimica, Università di Perugia
214 views
ON A METASTABLE CONFIGURATION AT THE H-TERMINATED (100) Si SURFACE
28 views
Computational and Experimental Structural Studies of Selected Chromium(0) Monocarbene Complexes
34 views