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Cordeiro, M. Natália D.S., Gomes, José A.N.F. (1993) Ab initiocopper-water interaction potential for the simulation of aqueous solutions. Journal of Computational Chemistry, 14 (6). 629-638 doi:10.1002/jcc.540140602

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Reference TypeJournal (article/letter/editorial)
TitleAb initiocopper-water interaction potential for the simulation of aqueous solutions
JournalJournal of Computational Chemistry
AuthorsCordeiro, M. Natália D.S.Author
Gomes, José A.N.F.Author
Year1993 (June)Volume14
Issue6
PublisherWiley
DOIdoi:10.1002/jcc.540140602Search in ResearchGate
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Mindat Ref. ID3146098Long-form Identifiermindat:1:5:3146098:1
GUID0
Full ReferenceCordeiro, M. Natália D.S., Gomes, José A.N.F. (1993) Ab initiocopper-water interaction potential for the simulation of aqueous solutions. Journal of Computational Chemistry, 14 (6). 629-638 doi:10.1002/jcc.540140602
Plain TextCordeiro, M. Natália D.S., Gomes, José A.N.F. (1993) Ab initiocopper-water interaction potential for the simulation of aqueous solutions. Journal of Computational Chemistry, 14 (6). 629-638 doi:10.1002/jcc.540140602
In(1993, June) Journal of Computational Chemistry Vol. 14 (6) Wiley

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Natália, M., Cordeiro, D.S., Ignaczak, Anna, Gomes, José A.N.F. (1993) Simulation of water solutions of Ni2+ at infinite dilution. Chemical Physics, 176. 97-108 doi:10.1016/0301-0104(93)85010-6
Szefczyk, Borys, Franco, Ricardo, Gomes, José A.N.F., Cordeiro, M. Natália D.S. (2010) Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols. Journal of Molecular Structure: THEOCHEM, 946. 83-87 doi:10.1016/j.theochem.2009.11.021
Fernandes, Pedro Alexandrino, Cordeiro, M.Natália D.S., Gomes, José A.N.F. (1999) Molecular dynamics simulation of the water/1,2-dichloroethane interface. Journal of Molecular Structure: THEOCHEM, 463. 151-156 doi:10.1016/s0166-1280(98)00405-9
Cordeiro, M. Natália D.S., Pinto, Ana S.S., Gomes, José A.N.F. (2007) A DFT study of the chemisorption of methoxy on clean and low oxygen precovered Ru(0001) surfaces. Surface Science, 601 (12). 2473-2485 doi:10.1016/j.susc.2007.04.168
Fajín, José L.C., Cordeiro, M. Natália D.S., Gomes, José R.B. (2017) Water dissociation on multimetallic catalysts. Applied Catalysis B: Environmental, 218. 199-207 doi:10.1016/j.apcatb.2017.06.050
Fajín, José L.C., Cordeiro, M. Natália D.S., Gomes, José R.B. (2010) Water adsorption and dissociation on the Au(321) stepped surface. Journal of Molecular Structure: THEOCHEM, 946. 51-56 doi:10.1016/j.theochem.2009.09.013
Fajín, José L.C., Cordeiro, M. Natália D.S., Illas, Francesc, Gomes, José R.B. (2010) Descriptors controlling the catalytic activity of metallic surfaces toward water splitting. Journal of Catalysis, 276. 92-100 doi:10.1016/j.jcat.2010.09.007
Fernandes, Pedro Alexandrino, Cordeiro, M. Natália D. S., Gomes, José A. N. F. (2001) Molecular Simulation of the Interface between Two Immiscible Electrolyte Solutions. The Journal of Physical Chemistry B, 105 (5). 981-993 doi:10.1021/jp002571j
Fajín, José L.C., Cordeiro, M. Natália D.S., Illas, Francesc, Gomes, José R.B. (2009) Influence of step sites in the molecular mechanism of the water gas shift reaction catalyzed by copper. Journal of Catalysis, 268. 131-141 doi:10.1016/j.jcat.2009.09.011
Fajín, José L.C., Cordeiro, M. Natália D.S., Gomes, José R.B. (2012) Unraveling the mechanism of the NO reduction by CO on gold based catalysts. Journal of Catalysis, 289. 11-20 doi:10.1016/j.jcat.2012.01.010
Carvalho, Alfredo P, Cordeiro, M.Natália D.S, Gomes, José A.N.F (1999) Influence of interionic separation in electron transfer reactions. Journal of Molecular Structure: THEOCHEM, 488. 169-178 doi:10.1016/s0166-1280(98)00630-7
 
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