Vote for your favorite mineral in #MinCup25! - Stibnite vs. Okenite
It's a battle of dark and light as soft, dramatic stibnite goes up against adorable cottonballs of Okenite.
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

Kishor Kumar, J., Gunasekaran, S., Loganathan, S., Anand, G., Kumaresan, S. (2013) The molecular structure, geometry, stability, thermal and fundamental modes of vibration of glycine dimer by DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 115. 730-737 doi:10.1016/j.saa.2013.06.097

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleThe molecular structure, geometry, stability, thermal and fundamental modes of vibration of glycine dimer by DFT methods
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsKishor Kumar, J.Author
Gunasekaran, S.Author
Loganathan, S.Author
Anand, G.Author
Kumaresan, S.Author
Year2013 (November)Volume115
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2013.06.097Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16394217Long-form Identifiermindat:1:5:16394217:3
GUID0
Full ReferenceKishor Kumar, J., Gunasekaran, S., Loganathan, S., Anand, G., Kumaresan, S. (2013) The molecular structure, geometry, stability, thermal and fundamental modes of vibration of glycine dimer by DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 115. 730-737 doi:10.1016/j.saa.2013.06.097
Plain TextKishor Kumar, J., Gunasekaran, S., Loganathan, S., Anand, G., Kumaresan, S. (2013) The molecular structure, geometry, stability, thermal and fundamental modes of vibration of glycine dimer by DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 115. 730-737 doi:10.1016/j.saa.2013.06.097
In(2013) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 115. Elsevier BV

See Also

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

Hemalatha, P., Kumaresan, S., Veeravazhuthi, V., Gunasekaran, S. (2013) Synthesis, growth and spectral studies of S-benzyl isothiouronium nitrate by density functional methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 109. 1-7 doi:10.1016/j.saa.2013.01.080
Selvaraj, S., Rajkumar, P., Kesavan, M., Thirunavukkarasu, K., Gunasekaran, S., Devi, N. Saradha, Kumaresan, S. (2020) Spectroscopic and structural investigations on modafinil by FT-IR, FT-Raman, NMR, UV–Vis and DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 224. 117449 doi:10.1016/j.saa.2019.117449
Yalagi, Shashikala, Tonannavar, J., Yenagi, Jayashree (2017) Experimental and DFT dimer modeling studies of the H-bond induced-vibration modes of l-β-Homoserine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 181. 109-115 doi:10.1016/j.saa.2017.03.041
Anbalagan, G., Sankari, G., Ponnusamy, S., kumar, R. Thilak, Gunasekaran, S. (2009) Investigation of silicate mineral sanidine by vibrational and NMR spectroscopic methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 74 (2) 404-409 doi:10.1016/j.saa.2009.06.034
Prabhaharan, M., Prabakaran, A.R., Gunasekaran, S., Srinivasan, S. (2014) Molecular structure and vibrational spectroscopic investigation of melamine using DFT theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 123. 392-401 doi:10.1016/j.saa.2013.12.056
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
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
Suresh, S., Gunasekaran, S., Srinivasan, S. (2015) Vibrational spectra (FT-IR, FT-Raman), frontier molecular orbital, first hyperpolarizability, NBO analysis and thermodynamics properties of Piroxicam by HF and DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 138. 447-459 doi:10.1016/j.saa.2014.11.040
Suresh, S., Gunasekaran, S., Srinivasan, S. (2014) Studies of the molecular geometry, vibrational spectra, Frontier molecular orbital, nonlinear optical and thermodynamics properties of Aceclofenac by quantum chemical calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 125. 239-251 doi:10.1016/j.saa.2014.01.027
Gunasekaran, S., Seshadri, S., Muthu, S., Kumaresan, S., Arunbalaji, R. (2008) Vibrational spectroscopy investigation using ab initio and density functional theory on p-anisaldehyde. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 70 (3) 550-556 doi:10.1016/j.saa.2007.07.050
Gunasekaran, Sethu, Rajalakshmi, K., Kumaresan, Subramanian (2013) Vibrational analysis, electronic structure and nonlinear optical properties of Levofloxacin by density functional theory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 112. 351-363 doi:10.1016/j.saa.2013.04.074
 
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: September 2, 2025 18:00:20
Go to top of page