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

Mary, Y. Shyma, Jojo, P.J., Panicker, C. Yohannan, Van Alsenoy, Christian, Ataei, Sanaz, Yildiz, Ilkay (2014) Theoretical investigations on the molecular structure, vibrational spectra, HOMO–LUMO and NBO analysis of 5-chloro-2-((4-chlorophenoxy)methyl)benzimidazole. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 122. 499-511 doi:10.1016/j.saa.2013.11.025

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleTheoretical investigations on the molecular structure, vibrational spectra, HOMO–LUMO and NBO analysis of 5-chloro-2-((4-chlorophenoxy)methyl)benzimidazole
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsMary, Y. ShymaAuthor
Jojo, P.J.Author
Panicker, C. YohannanAuthor
Van Alsenoy, ChristianAuthor
Ataei, SanazAuthor
Yildiz, IlkayAuthor
Year2014 (March)Volume122
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2013.11.025Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16394966Long-form Identifiermindat:1:5:16394966:0
GUID0
Full ReferenceMary, Y. Shyma, Jojo, P.J., Panicker, C. Yohannan, Van Alsenoy, Christian, Ataei, Sanaz, Yildiz, Ilkay (2014) Theoretical investigations on the molecular structure, vibrational spectra, HOMO–LUMO and NBO analysis of 5-chloro-2-((4-chlorophenoxy)methyl)benzimidazole. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 122. 499-511 doi:10.1016/j.saa.2013.11.025
Plain TextMary, Y. Shyma, Jojo, P.J., Panicker, C. Yohannan, Van Alsenoy, Christian, Ataei, Sanaz, Yildiz, Ilkay (2014) Theoretical investigations on the molecular structure, vibrational spectra, HOMO–LUMO and NBO analysis of 5-chloro-2-((4-chlorophenoxy)methyl)benzimidazole. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 122. 499-511 doi:10.1016/j.saa.2013.11.025
In(2014) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 122. Elsevier BV

See Also

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

Mary, Y. Shyma, Jojo, P.J., Panicker, C. Yohannan, Van Alsenoy, Christian, Ataei, Sanaz, Yildiz, Ilkay (2014) Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations of 2-(phenoxymethyl)benzimidazole. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 125. 12-24 doi:10.1016/j.saa.2014.01.068
Mary, Y. Sheena, Panicker, C. Yohannan, Yamuna, T.S., Siddegowda, M.S., Yathirajan, H.S., Al-Saadi, Abdulaziz A., Van Alsenoy, Christian (2014) Theoretical investigations on the molecular structure, vibrational spectral, HOMO–LUMO and NBO analysis of 9-[3-(Dimethylamino)propyl]-2-trifluoro-methyl-9H-thioxanthen-9-ol. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 132. 491-501 doi:10.1016/j.saa.2014.05.016
Mary, Y. Shyma, El-Brollosy, Nasser R., El-Emam, Ali A., Al-Deeb, Omar A., Jojo, P.J., Panicker, C. Yohannan, Van Alsenoy, Christian (2014) Vibrational spectra, NBO analysis, HOMO–LUMO and first hyperpolarizability of 2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, a potential chemotherapeutic agent based on density functional theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133. 449-456 doi:10.1016/j.saa.2014.06.036
Renjith, R., Mary, Y. Sheena, Varghese, Hema Tresa, Panicker, C. Yohannan, Thiemann, Thies, Van Alsenoy, Christian (2014) Vibrational spectra, molecular structure, NBO, HOMO–LUMO and first order hyperpoalarizability analysis of 1,4-bis(4-formylphenyl)anthraquinone by density functional theory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 131. 225-234 doi:10.1016/j.saa.2014.04.085
Al-Abdullah, Ebtehal S., Mary, Y. Sheena, Panicker, C. Yohannan, El-Brollosy, Nasser R., El-Emam, Ali A., Van Alsenoy, Christian, Al-Saadi, Abdulaziz A. (2014) Theoretical investigations on the molecular structure, vibrational spectra, HOMO–LUMO analyses and NBO study of 1-[(Cyclopropylmethoxy)methyl]-5-ethyl-6-(4-methylbenzyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133. 639-650 doi:10.1016/j.saa.2014.06.042
Mary, Y. Sheena, Varghese, Hema Tresa, Panicker, C. Yohannan, Girisha, M., Sagar, B.K., Yathirajan, H.S., Al-Saadi, Abdulaziz A., Van Alsenoy, Christian (2015) Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2,2-diphenyl-4-(piperidin-1-yl)butanamide. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 150. 543-556 doi:10.1016/j.saa.2015.05.090
Sheena Mary, Y., Yohannan Panicker, C., Narayana, B., Samshuddin, S., Sarojini, B.K., Van Alsenoy, C. (2014) FT-IR, molecular structure, HOMO–LUMO, MEP, NBO analysis and first order hyperpolarizability of Methyl 4,4″-difluoro-5′-methoxy-1,1′:3′,1″-terphenyl-4′-carboxylate. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133. 480-488 doi:10.1016/j.saa.2014.06.031
Mary, Y. Shyma, Al-Tamimi, Abdul-Malek S., El-Brollosy, Nasser R., El-Emam, Ali A., Jojo, P.J., Panicker, C. Yohannan, Alsenoy, Christian Van (2014) Molecular structure and vibrational spectra of 2-Ethoxymethyl-6-ethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, a potential chemotherapeutic agent, by density functional methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133. 439-448 doi:10.1016/j.saa.2014.06.053
Sheena Mary, Y., Yohannan Panicker, C., Sapnakumari, M., Narayana, B., Sarojini, B.K., Al-Saadi, Abdulaziz A., Van Alsenoy, Christian, War, Javeed Ahmad (2015) Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO, MEP, NBO analysis and molecular docking study of ethyl-6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 138. 73-84 doi:10.1016/j.saa.2014.11.012
Sheena Mary, Y., Raju, K., Panicker, C. Yohannan, Al-Saadi, Abdulaziz A., Thiemann, Thies, Van Alsenoy, Christian (2014) Molecular conformational analysis, vibrational spectra, NBO analysis and first hyperpolarizability of (2E)-3-phenylprop-2-enoic anhydride based on density functional theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 128. 638-646 doi:10.1016/j.saa.2014.02.194
Kaur, Manpreet, Sheena Mary, Y., Varghese, Hema Tresa, Yohannan Panicker, C., Yathirajan, H.S., Siddegowda, M.S., Alsenoy, Christian Van (2012) Vibrational spectroscopic, molecular structure, first hyperpolarizability and NBO studies of 4′-methylbiphenyl-2-carbonitrile. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 98. 91-99 doi:10.1016/j.saa.2012.08.061
 
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 21, 2025 11:59:46
Go to top of page