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Results:
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Results: 6
Quantum mechanical investigation of the inner-sphere reorganization energyof cyclooctatetraene/cyclooctatetraene radical anion. Part I
Authors:
Kelterer, AM Landgraf, S Grampp, G
Citation:
Am. Kelterer et al., Quantum mechanical investigation of the inner-sphere reorganization energyof cyclooctatetraene/cyclooctatetraene radical anion. Part I, SPECT ACT A, 57(10), 2001, pp. 1959-1969
When anomeric effects collide
Authors:
Cramer, CJ Kelterer, AM French, AD
Citation:
Cj. Cramer et al., When anomeric effects collide, J COMPUT CH, 22(11), 2001, pp. 1194-1204
HF/6-31Genergy surfaces for disaccharide analogs
Authors:
French, AD Kelterer, AM Johnson, GP Dowd, MK Cramer, CJ
Citation:
Ad. French et al., HF/6-31Genergy surfaces for disaccharide analogs, J COMPUT CH, 22(1), 2001, pp. 65-78
QM/MM distortion energies in di- and oligosaccharides complexed with proteins
Authors:
French, AD Johnson, GP Kelterer, AM Dowd, MK Cramer, CJ
Citation:
Ad. French et al., QM/MM distortion energies in di- and oligosaccharides complexed with proteins, INT J QUANT, 84(4), 2001, pp. 416-425
B3LYP/6-31G, RHF/6-31G*and MM3 heats of formation of disaccharide analogs
Authors:
French, AD Kelterer, AM Johnson, GP Dowd, MK
Citation:
Ad. French et al., B3LYP/6-31G, RHF/6-31G*and MM3 heats of formation of disaccharide analogs, J MOL STRUC, 556(1-3), 2000, pp. 303-313
A QM/MM analysis of the conformations of crystalline sucrose moieties
Authors:
French, AD Kelterer, AM Cramer, CJ Johnson, GP Dowd, MK
Citation:
Ad. French et al., A QM/MM analysis of the conformations of crystalline sucrose moieties, CARBOHY RES, 326(4), 2000, pp. 305-322
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