Vote for your favorite mineral in #MinCup25! - Calcite vs. Perovskite
This match of heavy hitters is bound to end in heartbreak as classic calcite faces off against futuristic perovskite.
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

Mukherjee, V., Singh, N.P., Yadav, R.A. (2013) Theoretical DFT study on spectroscopic signature and molecular dynamics of neurotransmitter and effect of hydrogen removal. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 107. 46-54 doi:10.1016/j.saa.2012.12.088

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleTheoretical DFT study on spectroscopic signature and molecular dynamics of neurotransmitter and effect of hydrogen removal
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsMukherjee, V.Author
Singh, N.P.Author
Yadav, R.A.Author
Year2013 (April)Volume107
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2012.12.088Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16393787Long-form Identifiermindat:1:5:16393787:2
GUID0
Full ReferenceMukherjee, V., Singh, N.P., Yadav, R.A. (2013) Theoretical DFT study on spectroscopic signature and molecular dynamics of neurotransmitter and effect of hydrogen removal. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 107. 46-54 doi:10.1016/j.saa.2012.12.088
Plain TextMukherjee, V., Singh, N.P., Yadav, R.A. (2013) Theoretical DFT study on spectroscopic signature and molecular dynamics of neurotransmitter and effect of hydrogen removal. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 107. 46-54 doi:10.1016/j.saa.2012.12.088
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.

Mukherjee, V., Singh, N.P., Yadav, R.A. (2010) FTIR and Raman spectra and optimized geometry of 2,3,6-tri-fluorobenzoic acid dimer: A DFT and SQMFF study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (4) 787-794 doi:10.1016/j.saa.2010.08.005
Mukherjee, V., Singh, N.P., Yadav, R.A. (2009) FTIR and Raman spectra, DFT and normal coordinate computations of 2,4,5- and 2,4,6-tri-fluoroanilines. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 73 (2) 249-256 doi:10.1016/j.saa.2009.02.014
Mukherjee, V., Singh, Karunakar, Singh, N.P., Yadav, R.A. (2008) Quantum chemical determination of molecular geometries and interpretation of FTIR and Raman spectra for 2,4,5- and 3,4,5-tri-fluoro-benzonitriles. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (4) 1571-1580 doi:10.1016/j.saa.2008.06.017
Mukherjee, V., Singh, N.P., Yadav, R.A. (2011) Vibrational fundamentals and natural bond orbitals analysis of some tri-fluorinated benzonitriles in ground state. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 81 (1) 609-619 doi:10.1016/j.saa.2011.06.063
Mukherjee, V., Singh, N.P., Yadav, R.A. (2009) Experimental and calculation aspects of vibrational spectra and optimized geometry of 2,3,4-tri-fluoro-benzoic acid dimer. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 74 (5) 1107-1114 doi:10.1016/j.saa.2009.09.017
Mukherjee, V., Singh, Karunakar, Singh, N.P., Yadav, R.A. (2009) FTIR and Raman spectra and SQM force field calculation for vibrational analysis of 2,3,4- and 2,3,6-tri-fluoro-anilines. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 73 (1) 44-53 doi:10.1016/j.saa.2009.01.024
Yadav, T., Mukherjee, V. (2018) Structural confirmation and spectroscopic study of a biomolecule: Norepinephrine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 202. 222-237 doi:10.1016/j.saa.2018.05.040
Srivastava, Mayuri, Singh, N.P., Yadav, R.A. (2014) Experimental Raman and IR spectral and theoretical studies of vibrational spectrum and molecular structure of Pantothenic acid (vitamin B5) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 129. 131-142 doi:10.1016/j.saa.2014.02.121
Srivastava, Mayuri, Rani, P., Singh, N.P., Yadav, R.A. (2014) Experimental and theoretical studies of vibrational spectrum and molecular structure and related properties of pyridoxine (vitamin B6) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 120. 274-286 doi:10.1016/j.saa.2013.09.133
Mukherjee, V., Singh, N.P. (2014) Theoretical vibrational spectra and thermodynamics of organic semiconductive tetrathiafulvalene and its cation radical. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 117. 315-322 doi:10.1016/j.saa.2013.07.105
Jha, Omkant, Yadav, T.K., Yadav, R.A. (2018) Structural and vibrational study of a neurotransmitter molecule: Dopamine [4-(2-aminoethyl) benzene-1,2-diol]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 189. 473-484 doi:10.1016/j.saa.2017.07.067
 
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 Β© 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 4, 2025 20:29:16
Go to top of page