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Results:
1-14
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Results: 14
Authors:
Henriques, ES
Floriano, WB
Reuter, N
Melo, A
Brown, D
Gomes, JANF
Maigret, B
Nascimento, MAC
Ramos, MJ
Citation: Es. Henriques et al., The search for a new model structure of beta-Factor XIIa, J COMPUT A, 15(4), 2001, pp. 309-322
Authors:
Smeyers, YG
Nascimento, MAC
Citation: Yg. Smeyers et Mac. Nascimento, Special issue: Theoretical chemistry - A selection of papers from the tenth Brazilian symposium of Theoretical Chemistry, Caxambu, MG, Brazil, 21-24 November 1999 - Preface, J MOL ST-TH, 539, 2001, pp. IX-IX
Authors:
Furtado, EA
Milas, I
Lins, JOMDA
Nascimento, MAC
Citation: Ea. Furtado et al., The dehydrogenation reaction of light alkanes catalyzed by zeolites, PHYS ST S-A, 187(1), 2001, pp. 275-288
Authors:
Barbatti, M
Jalbert, G
Nascimento, MAC
Citation: M. Barbatti et al., The effects of the presence of an alkaline atomic cation in a molecular hydrogen environment, J CHEM PHYS, 114(5), 2001, pp. 2213-2218
Authors:
Barbatti, M
Jalbert, G
Nascimento, MAC
Citation: M. Barbatti et al., The structure and the thermochemical properties of the H-3(+)(H-2)(n) clusters (n=8-12), J CHEM PHYS, 114(16), 2001, pp. 7066-7072
Authors:
Barbosa, AGH
Nascimento, MAC
Citation: Agh. Barbosa et Mac. Nascimento, A new approach for designing molecules with large hyperpolarizabilities: substituted C-36 fullerenes as a test case, CHEM P LETT, 343(1-2), 2001, pp. 15-20
Authors:
Milas, I
Nascimento, MAC
Citation: I. Milas et Mac. Nascimento, A density-functional study of the dehydrogenation reaction of isobutane over zeolites, CHEM P LETT, 338(1), 2001, pp. 67-73
Authors:
Silva, CO
da Silva, EC
Nascimento, MAC
Citation: Co. Silva et al., Ab initio calculations of absolute pK(a) values in aqueous solution II. Aliphatic alcohols, thiols, and halogenated carboxylic acids, J PHYS CH A, 104(11), 2000, pp. 2402-2409
Authors:
Barbatti, M
Jalbert, G
Nascimento, MAC
Citation: M. Barbatti et al., Isomeric structures and energies of H-n(+) clusters (n=13, 15, and 17), J CHEM PHYS, 113(10), 2000, pp. 4230-4237
Authors:
Esteves, PM
Nascimento, MAC
Mota, CJA
Citation: Pm. Esteves et al., Reactivity of alkanes on zeolites: A theoretical ab initio study of the H/H exchange, J PHYS CH B, 103(47), 1999, pp. 10417-10420
Authors:
da Silva, CO
da Silva, EC
Nascimento, MAC
Citation: Co. Da Silva et al., Ab initio calculations of absolute pK(a) values in aqueous solution I. Carboxylic acids, J PHYS CH A, 103(50), 1999, pp. 11194-11199
Authors:
Nascimento, MAC
Citation: Mac. Nascimento, Computer simulations of the adsorption process of light alkanes in high-silica zeolites, THEOCHEM, 464(1-3), 1999, pp. 239-247
Authors:
Da Silva, CO
Da Silva, EC
Nascimento, MAC
Citation: Co. Da Silva et al., Pseudospectral calculation of the gas-phase acidities of aliphatic alcohols, INT J QUANT, 74(4), 1999, pp. 417-422
Authors:
Ramos, MJ
Melo, A
Henriques, ES
Gomes, JANF
Reuter, N
Maigret, B
Floriano, WB
Nascimento, MAC
Citation: Mj. Ramos et al., Modeling enzyme-inhibitor interactions in serine proteases, INT J QUANT, 74(3), 1999, pp. 299-314
Risultati:
1-14
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