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

Sridevi, C., Velraj, G. (2013) Structural, vibrational, electronic, NMR, NLO and reactivity analyses of (3Z)-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one (OPEDI) by ab initio HF and DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 107. 334-346 doi:10.1016/j.saa.2013.01.044

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleStructural, vibrational, electronic, NMR, NLO and reactivity analyses of (3Z)-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one (OPEDI) by ab initio HF and DFT calculations
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsSridevi, C.Author
Velraj, G.Author
Year2013 (April)Volume107
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2013.01.044Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16393764Long-form Identifiermindat:1:5:16393764:3
GUID0
Full ReferenceSridevi, C., Velraj, G. (2013) Structural, vibrational, electronic, NMR, NLO and reactivity analyses of (3Z)-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one (OPEDI) by ab initio HF and DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 107. 334-346 doi:10.1016/j.saa.2013.01.044
Plain TextSridevi, C., Velraj, G. (2013) Structural, vibrational, electronic, NMR, NLO and reactivity analyses of (3Z)-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one (OPEDI) by ab initio HF and DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 107. 334-346 doi:10.1016/j.saa.2013.01.044
In(2013) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 107. Elsevier BV

See Also

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

Sridevi, C., Shanthi, G., Velraj, G. (2012) Structural, vibrational, electronic, NMR and reactivity analyses of 2-amino-4H-chromene-3-carbonitrile (ACC) by ab initio HF and DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 89. 46-54 doi:10.1016/j.saa.2011.12.050
Sridevi, C., Panneer Selvam, N., Shanthi, G., Velraj, G. (2012) Tautomeric stability, vibrational, electronic, NBO, and NMR analyses of N-[acetylamino-(3-nitrophenyl)methyl]-acetamide (ANPMA) by ab initio HF and DFT calculations. Journal of Molecular Structure, 1030. 46-56 doi:10.1016/j.molstruc.2012.07.012
Sridevi, C., Velraj, G. (2014) Molecular structure, tautomeric stability, protonation and deprotonation effects, vibrational, NMR and NBO analyses of 2,4-Dioxoimidazolidine-5-acetic acid (DOIAA) by quantum chemical calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 121. 533-543 doi:10.1016/j.saa.2013.10.101
Velraj, G., Soundharam, S., Sridevi, C. (2015) Investigation of structure, vibrational, electronic, NBO and NMR analyses of 2-chloro-4-nitropyridine (CNP), 2-chloro-4-methyl-5-nitropyridine (CMNP) and 3-amino-2-chloro-4-methylpyridine (ACMP) by experimental and theoretical approach. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 137. 790-803 doi:10.1016/j.saa.2014.08.075
Prabakaran, A., Muthu, S. (2014) Normal coordinate analysis, molecular structure, vibrational and electronic spectral investigation of 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione by ab initio HF and DFT method. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 118. 578-588 doi:10.1016/j.saa.2013.09.004
Vimalraj, V., Vijayalakshmi, S., Umayaparvathi, S., Krishnan, Akhil.R. (2011) Vibrational, NMR spectral studies of 2-furoic hydrazide by DFT and ab initio HF methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78 (2) 670-675 doi:10.1016/j.saa.2010.11.045
Balachandran, V., Rajeswari, S., Lalitha, S. (2013) Vibrational spectra, NBO analysis, first order hyperpolarizabilities, thermodynamic functions and NMR chemical shielding anisotropy (CSA) parameters of 5-nitro-2-furoic acid by ab initio HF and DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 113. 268-280 doi:10.1016/j.saa.2013.04.053
TaÅŸal, Erol, Kumalar, Mustafa (2013) Ab initio HF, DFT and experimental (FT-IR) investigation of vibrational spectroscopy of 3-(2-(4-isopropylpiperazin-1-yl)-2-oxoethyl)-6-(4-methoxybenzoyl)benzo[d]thiazol-2(3H)-one. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 101. 204-217 doi:10.1016/j.saa.2012.08.083
Tanak, Hasan, Toy, Mehmet (2016) Molecular structure and vibrational assignment of 1-[N-(2-pyridyl) aminomethylidene}-2(1H)-Naphtalenone by density functional theory (DFT) and ab initio Hartree–Fock (HF) calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 152. 525-529 doi:10.1016/j.saa.2014.11.002
Karakurt, Tuncay, Dinçer, Muharrem, Çetin, Ahmet, Şekerci, Memet (2010) Molecular structure and vibrational bands and chemical shift assignments of 4-allyl-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione by DFT and ab initio HF calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (1) 189-198 doi:10.1016/j.saa.2010.05.006
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
 
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 18, 2025 06:33:04
Go to top of page