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

Song, Xiaomin, Wang, Meishan, Yang, Chuanlu, Liu, Yanli, Ma, Shanshan, Ma, Xiaoguang, Pang, Weixiu (2022) The molecular structure and spectroscopic properties of C3H2O and its isomers: An ab initio study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 265. 120388 doi:10.1016/j.saa.2021.120388

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleThe molecular structure and spectroscopic properties of C3H2O and its isomers: An ab initio study
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsSong, XiaominAuthor
Wang, MeishanAuthor
Yang, ChuanluAuthor
Liu, YanliAuthor
Ma, ShanshanAuthor
Ma, XiaoguangAuthor
Pang, WeixiuAuthor
Year2022 (January)Volume265
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2021.120388Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16403907Long-form Identifiermindat:1:5:16403907:0
GUID0
Full ReferenceSong, Xiaomin, Wang, Meishan, Yang, Chuanlu, Liu, Yanli, Ma, Shanshan, Ma, Xiaoguang, Pang, Weixiu (2022) The molecular structure and spectroscopic properties of C3H2O and its isomers: An ab initio study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 265. 120388 doi:10.1016/j.saa.2021.120388
Plain TextSong, Xiaomin, Wang, Meishan, Yang, Chuanlu, Liu, Yanli, Ma, Shanshan, Ma, Xiaoguang, Pang, Weixiu (2022) The molecular structure and spectroscopic properties of C3H2O and its isomers: An ab initio study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 265. 120388 doi:10.1016/j.saa.2021.120388
In(2022) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 265. Elsevier BV

See Also

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

Chi, Lihan, Wang, Meishan, Yang, Chuanlu, Liu, Yanli, Ma, Shanshan, Ma, Xiaoguang (2020) Ab initio study on the molecular structure and spectroscopic properties of isomers of SO3. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 242. 118746 doi:10.1016/j.saa.2020.118746
Song, Xiaomin, Wang, Meishan, Yang, Chuanlu, Pang, Weixiu, Ma, Xiaoguang, Li, Yuanju (2022) The molecular structure, spectroscopic properties and partition functions of C3H2S isomers: An ab initio study. Computational and Theoretical Chemistry, 1217. 113877 doi:10.1016/j.comptc.2022.113877
Ma, Shanshan, Wang, Meishan, Liu, Yanli, Yang, Chuanlu, Chi, Lihan, Li, Quanjiang (2021) Ab initio study of spectroscopic properties and anharmonic force fields of MNH2 (M = Li, Na, K) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 253. 119591 doi:10.1016/j.saa.2021.119591
Zhao, Yanliang, Wang, Meishan, Yang, Chuanlu, Ma, Xiaoguang, Zhu, Ziliang (2016) The spectroscopic constants and anharmonic force field of AgSH: An ab initio study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 164. 89-92 doi:10.1016/j.saa.2016.03.033
Zhao, Yanliang, Wang, Meishan, Yang, Chuanlu, Ma, Xiaoguang, Li, Jing (2018) DFT calculations for anharmonic force field and spectroscopic constants of YC2 and its 13C isotopologues. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 191. 382-388 doi:10.1016/j.saa.2017.10.016
Ma, Shanshan, Wang, Meishan, Liu, Yanli, Yang, Chuanlu, Chi, Lihan, Song, Xiaomin (2021) Rovibrational spectroscopic constants and anharmonic force fields of CH3AsH2 and CH2AsH3: An study. Chemical Physics Letters, 780. 138917pp. doi:10.1016/j.cplett.2021.138917
Li, Yuanju, Wang, Meishan, Zhao, Yanliang, Yang, Chuanlu, Ma, Xiaoguang, Song, Xiaomin (2024) The molecular structure and spectroscopic properties of formaldoxime (CH2NOH) Physica Scripta, 99 (5) 55403 doi:10.1088/1402-4896/ad3691
Pang, Weixiu, Wang, Meishan, Yang, Chuanlu, Zhang, Yongfeng (2007) Ab initio study of spectroscopic constants and anharmonic force field of Ge74Cl2. The Journal of Chemical Physics, 126 (19). 194301pp. doi:10.1063/1.2733654
Xu, Qiushuang, Liu, Yanli, Zhao, Xian, Chen, Shenghui, Li, Quanjing, Wang, Meishan, Yang, Chuanlu (2020) Vibrationally resolved electronic circular dichroism and circularly polarized luminescence spectra of a boron-fused double helicene: A theoretical study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 231. 118132 doi:10.1016/j.saa.2020.118132
Wang, Hongming, Yang, Chuanlu, Zhang, Zhihong, Wang, Meishan, Han, Keli (2006) The molecular structure and vibrational spectra of corrolazine metal complexes (CzM) by density functional theory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 64 (3) 795-800 doi:10.1016/j.saa.2005.08.006
Liu, Yanli, Xu, Qiushuang, Sun, Jie, Wang, Li, He, Di, Wang, Meishan, Yang, Chuanlu (2020) Insights for vibronic effects on spectral shapes of electronic circular dichroism and circularly polarized luminescence of aza[7]helicene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 239. 118475 doi:10.1016/j.saa.2020.118475
 
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 25, 2025 00:27:03
Go to top of page