A New Method for the Synthesis of Amphip
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Prof. Dr. Hans H. Karsch; Dipl.-Chem. Eva Witt; Dr. Arnold Schneider; Dr. Eberha
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Article
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1995
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John Wiley and Sons
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English
โ 529 KB
polarization functions at all atoms Ld (C.P) = 0.8, 0.5; LJH) = 0.65; active space for the MCSCF geometry optimization 3a, plus 3a, orbitals; the multireference calculations were carried out in this space. All MCSCF and MRCl calculations were undertaken with the program system MOL-PRO (201.