Facultade de Química
Facultad
Luis
Carballeira Ocaña
Publicacións nas que colabora con Luis Carballeira Ocaña (14)
2001
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A theoretical study of the S + C2H reaction: Potential energy surfaces and dynamics
Journal of Physical Chemistry A, Vol. 105, Núm. 19, pp. 4716-4725
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A theoretical study of the low-lying electronic states of SC3
Chemical Physics Letters, Vol. 343, Núm. 1-2, pp. 105-112
1992
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Conformational analysis of tricyclic systems including the NCO unit by molecular mechanics IV. Perhydrocycloalkane [e] pyrido[1,2-c]-1,3-oxazines
Journal of Molecular Structure, Vol. 274, Núm. C, pp. 259-275
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Molecular mechanics study of conformational trends in simple alcohols and ethers. II. Intramolecular hydrogen bonding
Journal of Computational Chemistry, Vol. 13, Núm. 7, pp. 851-859
1991
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A molecular mechanics study of conformational trends in simple alcohols and ethers. Part I: Geometric trends
Journal of Computational Chemistry, Vol. 12, Núm. 7, pp. 872-879
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Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics Part II. 4,5- and 5,6- Tetramethylene perhydro-1,3-oxazines
Journal of Molecular Structure, Vol. 246, Núm. 3-4, pp. 301-319
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Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics. Part I. Perhydropyrido [1,2-c][1,3] oxazines
Journal of Molecular Structure, Vol. 245, Núm. 1-2, pp. 53-67
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Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics. Part III. Perhydro-oxazolo [3,4-a] pyridine, perhydro- oxazolo [3,4-c] [1,3]oxazines and perhydro [1,3] oxazino [3,4-c] [1,3]oxazines
Journal of Molecular Structure, Vol. 263, Núm. C, pp. 157-166
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Molecular mechanics (MM2) and conformational analysis of compounds with NCO units. Parametrization of the force field and anomeric effect
Journal of Computational Chemistry, Vol. 12, Núm. 1, pp. 78-90
1990
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AB initio studies of molecules with N-C-O units. Part 2. 1-oxa-3-azacyclohexane, 1-oxa-3,5-diazacyclohexane and 1,3-dioxa-5-azacyclohexane
Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 1-2, pp. 29-38
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Ab Initio studies of molecules with N-C-O units. Part IV. N,N-dimethylaminomethanol, 2-amino-2-propanol and 1-methylaminoethanol
Journal of Molecular Structure: THEOCHEM, Vol. 209, Núm. 3-4, pp. 201-209
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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
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Ab initio studies of molecules with N-C-O units. Part III. 1-Methoxy-N-methyl-methylamine and 1-aminoethanol
Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 3-4, pp. 277-285