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

Mahalakshmi, G., Balachandran, V. (2014) Molecular structure, vibrational spectra (FTIR and FT Raman) and natural bond orbital analysis of 4-Aminomethylpiperidine: DFT study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 131. 587-598 doi:10.1016/j.saa.2014.04.154

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleMolecular structure, vibrational spectra (FTIR and FT Raman) and natural bond orbital analysis of 4-Aminomethylpiperidine: DFT study
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsMahalakshmi, G.Author
Balachandran, V.Author
Year2014 (October)Volume131
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2014.04.154Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16395613Long-form Identifiermindat:1:5:16395613:2
GUID0
Full ReferenceMahalakshmi, G., Balachandran, V. (2014) Molecular structure, vibrational spectra (FTIR and FT Raman) and natural bond orbital analysis of 4-Aminomethylpiperidine: DFT study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 131. 587-598 doi:10.1016/j.saa.2014.04.154
Plain TextMahalakshmi, G., Balachandran, V. (2014) Molecular structure, vibrational spectra (FTIR and FT Raman) and natural bond orbital analysis of 4-Aminomethylpiperidine: DFT study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 131. 587-598 doi:10.1016/j.saa.2014.04.154
In(2014) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 131. Elsevier BV

See Also

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

Mahalakshmi, G., Balachandran, V. (2015) NBO, HOMO, LUMO analysis and vibrational spectra (FTIR and FT Raman) of 1-Amino 4-methylpiperazine using ab initio HF and DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 135. 321-334 doi:10.1016/j.saa.2014.06.157
Mahalakshmi, G., Balachandran, V. (2014) FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 124. 535-547 doi:10.1016/j.saa.2014.01.061
Balachandran, V., Karunakaran, V. (2014) Molecular structure, vibrational spectroscopic, hyperpolarizability, natural bond orbital analysis, frontier molecular orbital analysis and thermodynamic properties of 2,3,4,5,6-pentafluorophenylacetic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 127. 473-483 doi:10.1016/j.saa.2014.02.129
Balachandran, V., Mahalakshmi, G., Lakshmi, A., Janaki, A. (2012) DFT, FT-Raman, FT-IR, HOMO–LUMO and NBO studies of 4-Methylmorpholine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97. 1101-1110 doi:10.1016/j.saa.2012.07.112
Mahalakshmi, G., Balachandran, V. (2014) FT-IR, FT-Raman and DFT study of 3,3′-bis (trifluoromethyl) benzophenone and its biological activity with other halogen (Cl, Br) atoms. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 124. 328-340 doi:10.1016/j.saa.2014.01.038
Karunakaran, V., Balachandran, V. (2012) α-Bromo-2,6-dichlorotoluene: Molecular structure, vibrational spectroscopy, natural bond orbital analysis and NMR studies. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 95. 64-72 doi:10.1016/j.saa.2012.04.071
Karnan, M., Balachandran, V., Murugan, M. (2012) Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of 3-hydroxy-6-methyl-2-nitropyridine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96. 51-62 doi:10.1016/j.saa.2012.05.007
Dheivamalar, S., Silambarasan, V. (2012) DFT simulations and vibrational analysis of FTIR and FT-Raman spectra of 2-amino-4-methyl benzonitrile. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96. 480-484 doi:10.1016/j.saa.2012.05.008
Prabavathi, N., Nilufer, A., Krishnakumar, V. (2013) Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 114. 101-113 doi:10.1016/j.saa.2013.05.013
Sylvestre, S., Sebastian, S., Edwin, S., Amalanathan, M., Ayyapan, S., Jayavarthanan, T., Oudayakumar, K., Solomon, S. (2014) Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of l-Asparagine Monohydrate by Density Functional Theory approach. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133. 190-200 doi:10.1016/j.saa.2014.05.040
Karnan, M., Balachandran, V., Murugan, M., Murali, M.K. (2014) Quantum chemical vibrational study, molecular property, FTIR, FT-Raman spectra, NBO, HOMO–LUMO energies and thermodynamic properties of 1-methyl-2-phenyl benzimidazole. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 130. 143-151 doi:10.1016/j.saa.2014.03.128
 
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 23:17:15
Go to top of page