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Comparison for pyrrole and pyrazole of orbital energies and population analyses from ab-initio SCF, CNDO/2, INDO, extended hückel, and ARCANA calculations
Joyce J. Kaufman, Harry J. T. Preston, Ellen Kerman, L. Chopin CusachsVolume:
7
Year:
1973
Language:
english
Pages:
12
DOI:
10.1002/qua.560070731
File:
PDF, 600 KB
english, 1973