Watch the Dallas Symposium LIVE, and fundraiser auction
Ticket proceeds support mindat.org! - click here...
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

Mahadevan, D., Periandy, S., Ramalingam, S. (2011) FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) 962-969 doi:10.1016/j.saa.2011.04.003

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleFT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsMahadevan, D.Author
Periandy, S.Author
Ramalingam, S.Author
Year2011 (September)Volume79
Issue5
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2011.04.003Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16391932Long-form Identifiermindat:1:5:16391932:8
GUID0
Full ReferenceMahadevan, D., Periandy, S., Ramalingam, S. (2011) FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) 962-969 doi:10.1016/j.saa.2011.04.003
Plain TextMahadevan, D., Periandy, S., Ramalingam, S. (2011) FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) 962-969 doi:10.1016/j.saa.2011.04.003
In(2011, September) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 79 (5) Elsevier BV

See Also

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

Ramalingam, S., Periandy, S., Elanchezhian, B., Mohan, S. (2011) FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78 (1) 429-436 doi:10.1016/j.saa.2010.11.005
Prabhu, T., Periandy, S., Ramalingam, S. (2011) FT-IR and FT-Raman investigation, computed vibrational intensity analysis and computed vibrational frequency analysis on m-Xylol using ab-initio HF and DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) 948-955 doi:10.1016/j.saa.2011.04.001
Shoba, D., Karabacak, M., Periandy, S., Ramalingam, S. (2011) FT-IR and FT-Raman vibrational analysis, ab initio HF and DFT simulations of isocyanic acid 1-naphthyl ester. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 81 (1) 504-518 doi:10.1016/j.saa.2011.06.044
Mahadevan, D., Periandy, S., Karabacak, M., Ramalingam, S. (2011) FT-IR and FT-Raman, UV spectroscopic investigation of 1-bromo-3-fluorobenzene using DFT (B3LYP, B3PW91 and MPW91PW91) calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 82 (1) 481-492 doi:10.1016/j.saa.2011.07.082
Prabhu, T., Periandy, S., Ramalingam, S. (2011) FT-IR and FT-Raman spectroscopic investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 2-nitroanisole using HF and DFT (B3LYP and B3PW91) calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 83 (1) 8-16 doi:10.1016/j.saa.2011.04.004
Mahadevan, D., Periandy, S., Ramalingam, S. (2011) Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78 (2) 575-581 doi:10.1016/j.saa.2010.11.025
Mahadevan, D., Periandy, S., Ramalingam, S. (2011) Comparative vibrational analysis of 1,2-Dinitro benzene and 1-Fluoro-3-nitro benzene: A combined experimental (FT-IR and FT-Raman) and theoretical study (DFT/B3LYP/B3PW91) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 84 (1) 86-98 doi:10.1016/j.saa.2011.09.004
Nagabalasubramanian, P.B., Periandy, S. (2010) FTIR and FT Raman, molecular geometry, vibrational assignments, ab initio and density functional theory calculations for 1,5-methylnaphthalene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (5) 1099-1107 doi:10.1016/j.saa.2010.09.002
Nagabalasubramanian, P.B., Periandy, S., Mohan, S. (2010) Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of α-chlorotoluene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (1) 150-159 doi:10.1016/j.saa.2010.04.043
Suvitha, A., Periandy, S., Boomadevi, S., Govindarajan, M. (2014) Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on pycolinaldehyde oxime. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 117. 216-224 doi:10.1016/j.saa.2013.07.080
Udayakumar, V., Periandy, S., Ramalingam, S. (2011) Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, IR intensity, Raman activity and frequency estimation analyses on 1-bromo-4-chlorobenzene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) 920-927 doi:10.1016/j.saa.2011.03.049
 
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 19, 2025 09:11:01
Go to top of page