%0 Journal Article %1 WOS:000380590800036 %A Costa, Stefane N %A Freire, Valder N %A Caetano, Ewerton W S %A Jr., Francisco F Maia %A Barboza, Carlos A %A Fulco, Umberto L %A Albuquerque, Eudenilson L %C 1155 16TH ST, NW, WASHINGTON, DC 20036 USA %D 2016 %I AMER CHEMICAL SOC %J JOURNAL OF PHYSICAL CHEMISTRY A %K imported %N 28 %P 5752-5765 %R 10.1021/acs.jpca.6b05436 %T DFT Calculations with van der Waals Interactions of Hydrated Calcium Carbonate Crystals CaCO3 center dot(H2O, 6H(2)O): Structural, Electronic, Optical, and Vibrational Properties %V 120 %X The role of hydration on the structural, electronic, optical, and vibrational properties of monohydrated (CaCO3 center dot H2O, hexagonal, P3(1)

@article{WOS:000380590800036, abstract = {The role of hydration on the structural, electronic, optical, and vibrational properties of monohydrated (CaCO3 center dot H2O, hexagonal, P3(1)}, added-at = {2022-05-23T20:00:14.000+0200}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, author = {Costa, Stefane N and Freire, Valder N and Caetano, Ewerton W S and Jr., Francisco F Maia and Barboza, Carlos A and Fulco, Umberto L and Albuquerque, Eudenilson L}, biburl = {https://www.bibsonomy.org/bibtex/2aa898b05de1be8ff8fa02db7e28b143a/ppgfis_ufc_br}, doi = {10.1021/acs.jpca.6b05436}, interhash = {356257c01cd3ac12a8a91abd146ff286}, intrahash = {aa898b05de1be8ff8fa02db7e28b143a}, issn = {1089-5639}, journal = {JOURNAL OF PHYSICAL CHEMISTRY A}, keywords = {imported}, number = 28, pages = {5752-5765}, publisher = {AMER CHEMICAL SOC}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {DFT Calculations with van der Waals Interactions of Hydrated Calcium Carbonate Crystals CaCO3 center dot(H2O, 6H(2)O): Structural, Electronic, Optical, and Vibrational Properties}, tppubtype = {article}, volume = 120, year = 2016 }