Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Martins, João B.L., Quintino, Rabeshe P., Politi, José R. dos S., Sethio, Daniel, Gargano, Ricardo, Kraka, Elfi (2020) Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 239. 118540 doi:10.1016/j.saa.2020.118540

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleComputational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T)
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsMartins, João B.L.Author
Quintino, Rabeshe P.Author
Politi, José R. dos S.Author
Sethio, DanielAuthor
Gargano, RicardoAuthor
Kraka, ElfiAuthor
Year2020 (October)Volume239
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2020.118540Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16402224Long-form Identifiermindat:1:5:16402224:9
GUID0
Full ReferenceMartins, João B.L., Quintino, Rabeshe P., Politi, José R. dos S., Sethio, Daniel, Gargano, Ricardo, Kraka, Elfi (2020) Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 239. 118540 doi:10.1016/j.saa.2020.118540
Plain TextMartins, João B.L., Quintino, Rabeshe P., Politi, José R. dos S., Sethio, Daniel, Gargano, Ricardo, Kraka, Elfi (2020) Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 239. 118540 doi:10.1016/j.saa.2020.118540
In(2020) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 239. Elsevier BV

See Also

These are possibly similar items as determined by title/reference text matching only.

Carvalho, Cassius M.C., Gargano, Ricardo, Martins, João B.L., Politi, José Roberto S. (2020) Accurate spectroscopic properties by diffusion quantum Monte Carlo calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 243. 118707 doi:10.1016/j.saa.2020.118707
Carvalho, Cassius M.C.; Gargano, Ricardo; Martins, João B.L.; Politi, José Roberto S. (2025) Accurate rovibrational spectroscopy of relevant astrochemical complexes: CH4⋯CH4, CH4⋯N2 and CH4⋯Ar. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 340. doi:10.1016/j.saa.2025.126273
Delgado, Alexis Antoinette Ann, Sethio, Daniel, Matthews, Devin, Oliveira, Vytor, Kraka, Elfi (2021) Substituted hydrocarbon: a CCSD(T) and local vibrational mode investigation. Molecular Physics, 119 (21) doi:10.1080/00268976.2021.1970844
Martins, João B.L., Politi, José Roberto dos S., Braga, Antonio Donizete, Gargano, Ricardo (2006) Complexes of water with the fluoromethanes. Chemical Physics Letters, 431. 51-55 doi:10.1016/j.cplett.2006.09.065
Brito, Airan F. S., Aquino, Adelia J. A., dos Santos Politi, José Roberto, Martins, João B. L. (2025) Infrared Spectroscopy of Ethanethiol Monomers and Dimers at MP2 Level: Characterizing the Dimer Formation and Hydrogen Bond. Journal of Computational Chemistry, 46 (1). doi:10.1002/jcc.27540
Muthu, S., Prabhakaran, A. (2014) Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 129. 184-192 doi:10.1016/j.saa.2014.03.050
Gnanasambandan, T., Gunasekaran, S., Seshadri, S. (2014) DFT computations and spectroscopic analysis of p-bromoacetanilide. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 122. 542-552 doi:10.1016/j.saa.2013.11.013
Elleuch, S., Feki, H., Abid, Y. (2007) HF, MP2 and DFT calculations and spectroscopic study of the vibrational and conformational properties of N-diethylendiamine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 68 (3) 942-947 doi:10.1016/j.saa.2007.01.007
Govindasamy, P., Gunasekaran, S., Srinivasan, S. (2014) Molecular geometry, conformational, vibrational spectroscopic, molecular orbital and Mulliken charge analysis of 2-acetoxybenzoic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 130. 329-336 doi:10.1016/j.saa.2014.03.056
John, Jerin Susan, Sajan, D. (2020) Computational analysis of vibrational spectroscopic properties and hyperpolarizability of silver adsorbed organic molecule, N,N’ Dimethyl Urea Ninhydrin. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 228. 117698 doi:10.1016/j.saa.2019.117698
Rajesh, P., Gunasekaran, S., Seshadri, S., Gnanasambandan, T. (2014) DFT computational analysis of piracetam. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 132. 249-255 doi:10.1016/j.saa.2014.04.106
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: August 29, 2025 18:35:03
Go to top of page