Química Física
Departamento
Berta
Fernández Rodríguez
Publicacións nas que colabora con Berta Fernández Rodríguez (6)
2013
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A high-accuracy theoretical study of the CHnP Systems n = 1-3
Journal of Computational Chemistry, Vol. 34, Núm. 23, pp. 2020-2031
1992
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Structure-activity relationships in verapamil and analogues using molecular mechanics calculations
International Journal of Pharmaceutics, Vol. 79, Núm. 1-3, pp. 199-203
1991
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An ab initio conformational analysis of isobutylamine and diisopropylamine
Journal of Molecular Structure: THEOCHEM, Vol. 251, Núm. C, pp. 319-326
1990
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Ab initio gradient conformational analysis of polyazocyclohexanes:1,4-diazocyclohexane, 1,3-diazocyclohexane and 1,3,5-triazocyclohexane
Journal of Molecular Structure: THEOCHEM, Vol. 205, Núm. C, pp. 223-234
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Ab initio studies of molecules with N-C-O units. Part I. Methylaminomethanol, 1-methoxymethylamine and 1-methoxy-N-N-dimethyl-methylamine
Journal of Molecular Structure: THEOCHEM, Vol. 205, Núm. C, pp. 235-244
1989
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Study of the geometric trends and rotational constants of 1-fluoro-2-propanol and 2-fluoropropanol by Ab Initio calculations
Tetrahedron Computer Methodology, Vol. 2, Núm. 2, pp. 85-92