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Crystal structure studies using ab-initio potential functions from partitioned ab-initio MODPOT/VRDDO SCF energy calculations. I. N2 and CO2 test cases. II. Nitromethane, CH3NO2
W. Andrzej Sokalski, Szczepan Roszak, Alfred H. Lowrey, P. C. Hariharan, Walter S. Koski, Joyce J. Kaufman, Richard S. MillerVolume:
24
Year:
1983
Language:
english
Pages:
17
DOI:
10.1002/qua.560240842
File:
PDF, 762 KB
english, 1983