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Costa Cabral, B. J., Martins, J. L. (1999) Homocoordination preference in NaCs and LiNa liquid alloys by first principles molecular dynamics. The Journal of Chemical Physics, 111 (11). 5067-5072 doi:10.1063/1.479762

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Reference TypeJournal (article/letter/editorial)
TitleHomocoordination preference in NaCs and LiNa liquid alloys by first principles molecular dynamics
JournalThe Journal of Chemical Physics
AuthorsCosta Cabral, B. J.Author
Martins, J. L.Author
Year1999 (September 15)Volume111
Issue11
PublisherAIP Publishing
DOIdoi:10.1063/1.479762Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2247447Long-form Identifiermindat:1:5:2247447:8
GUID0
Full ReferenceCosta Cabral, B. J., Martins, J. L. (1999) Homocoordination preference in NaCs and LiNa liquid alloys by first principles molecular dynamics. The Journal of Chemical Physics, 111 (11). 5067-5072 doi:10.1063/1.479762
Plain TextCosta Cabral, B. J., Martins, J. L. (1999) Homocoordination preference in NaCs and LiNa liquid alloys by first principles molecular dynamics. The Journal of Chemical Physics, 111 (11). 5067-5072 doi:10.1063/1.479762
In(1999, September) The Journal of Chemical Physics Vol. 111 (11) AIP Publishing

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Galamba, N., Costa Cabral, B. J. (2007) First principles molecular dynamics of molten NaCl. The Journal of Chemical Physics, 126 (12). 124502pp. doi:10.1063/1.2711187
Cabral, Benedito José Costa, Martins, José Luís (1995) First-principles molecular dynamics of liquid cesium and rubidium. Physical Review B, 51 (2) 872-877 doi:10.1103/physrevb.51.872
Galamba, N., Costa Cabral, B. J. (2007) First principles molecular dynamics of molten NaI: Structure, self-diffusion, polarization effects, and charge transfer. The Journal of Chemical Physics, 127 (9). 94506pp. doi:10.1063/1.2768968
Costa Cabral, B (1999) First principles molecular dynamics of a liquid Li–Na alloy. Journal of Molecular Structure: THEOCHEM, 463. 145-149 doi:10.1016/s0166-1280(98)00415-1
Cabral, Benedito José Costa, Martins, José Luís (1995) First principles molecular dynamics simulation of liquid rubidium. Journal of Molecular Structure: THEOCHEM, 330. 273-277 doi:10.1016/0166-1280(94)03850-k
Alemany, M.M.G., Martins, José Luís, Cabral, B.J. Costa (2004) First-principles molecular dynamics of liquid rubidium at low density. Journal of Non-Crystalline Solids, 347 (1) 100-105 doi:10.1016/j.jnoncrysol.2004.09.014
Cabral, Benedito J. Costa, Rivelino, Roberto, Coutinho, Kaline, Canuto, Sylvio (2015) A first principles approach to the electronic properties of liquid and supercritical CO2. The Journal of Chemical Physics, 142 (2). 24504pp. doi:10.1063/1.4905256
Frech, Roger (1973) Molecular dipole model of internal optic modes. The Journal of Chemical Physics, 58 (11) 5067-5072 doi:10.1063/1.1679095
Saitta, A. Marco, Klein, Michael L. (1999) Polyethylene under tensil load: Strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations. The Journal of Chemical Physics, 111 (20). 9434-9440 doi:10.1063/1.479855
Almeida, Tânia S., Coutinho, Kaline, Costa Cabral, Benedito J., Canuto, Sylvio (2008) Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach. The Journal of Chemical Physics, 128 (1). 14506pp. doi:10.1063/1.2804420
Millot, Claude, Costa Cabral, Benedito J. (2008) Electronic properties of liquid water by sequential molecular dynamics/density functional theory. Chemical Physics Letters, 460. 466-469 doi:10.1016/j.cplett.2008.06.059
 
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