Vote for your favorite mineral in #MinCup25! - Paddlewheelite vs. Mannardite
It's a battle of the tiny as bright green #paddlewheelite goes up against jet black #mannardite. Both are small yet mighty minerals, but only one can win!
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

Liu, Hanchao, Wang, Yimin, Bowman, Joel M. (2013) Vibrational Analysis of an Ice Ih Model from 0 to 4000 cm–1 Using the Ab Initio WHBB Potential Energy Surface. The Journal of Physical Chemistry B, 117 (34). 10046-10052 doi:10.1021/jp405865c

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleVibrational Analysis of an Ice Ih Model from 0 to 4000 cm–1 Using the Ab Initio WHBB Potential Energy Surface
JournalThe Journal of Physical Chemistry B
AuthorsLiu, HanchaoAuthor
Wang, YiminAuthor
Bowman, Joel M.Author
Year2013 (August 29)Volume117
Issue34
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp405865cSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID3882005Long-form Identifiermindat:1:5:3882005:8
GUID0
Full ReferenceLiu, Hanchao, Wang, Yimin, Bowman, Joel M. (2013) Vibrational Analysis of an Ice Ih Model from 0 to 4000 cm–1 Using the Ab Initio WHBB Potential Energy Surface. The Journal of Physical Chemistry B, 117 (34). 10046-10052 doi:10.1021/jp405865c
Plain TextLiu, Hanchao, Wang, Yimin, Bowman, Joel M. (2013) Vibrational Analysis of an Ice Ih Model from 0 to 4000 cm–1 Using the Ab Initio WHBB Potential Energy Surface. The Journal of Physical Chemistry B, 117 (34). 10046-10052 doi:10.1021/jp405865c
In(2013, August) The Journal of Physical Chemistry B Vol. 117 (34) American Chemical Society (ACS)

See Also

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

Liu, Hanchao, Wang, Yimin, Bowman, Joel M. (2014) Ab Initio Deconstruction of the Vibrational Relaxation Pathways of Dilute HOD in Ice Ih. Journal Of The American Chemical Society, 136 (16) 5888-5891 doi:10.1021/ja501986t
Liu, Hanchao, Wang, Yimin, Bowman, Joel M. (2012) Quantum Calculations of Intramolecular IR Spectra of Ice Models Using Ab Initio Potential and Dipole Moment Surfaces. The Journal of Physical Chemistry Letters, 3 (24). 3671-3676 doi:10.1021/jz3016777
Liu, Hanchao, Wang, Yimin, Bowman, Joel M. (2016) Quantum Local Monomer IR Spectrum of Liquid D2O at 300 K from 0 to 4000 cm–1 Is in Near-Quantitative Agreement with Experiment. The Journal of Physical Chemistry B, 120 (10). 2824-2828 doi:10.1021/acs.jpcb.6b01722
Liu, Hanchao, Wang, Yimin, Bowman, Joel M. (2016) Transferable ab Initio Dipole Moment for Water: Three Applications to Bulk Water. The Journal of Physical Chemistry B, 120 (8). 1735-1742 doi:10.1021/acs.jpcb.5b09213
Wang, Yimin, Carter, Stuart, Bowman, Joel M. (2013) Variational Calculations of Vibrational Energies and IR Spectra of trans- and cis-HOCO Using New ab Initio Potential Energy and Dipole Moment Surfaces. The Journal of Physical Chemistry A, 117 (39). 9343-9352 doi:10.1021/jp309911w
Bowman, Joel M., Wang, Yimin, Liu, Hanchao, Mancini, John S. (2015) Ab Initio Quantum Approaches to the IR Spectroscopy of Water and Hydrates. The Journal of Physical Chemistry Letters, 6 (3). 366-373 doi:10.1021/jz502196f
Liu, Hanchao, Wang, Yimin, Bowman, Joel M. (2014) Local-Monomer Calculations of the Intramolecular IR Spectra of the Cage and Prism Isomers of HOD(D2O)5 and HOD and D2O Ice Ih. The Journal of Physical Chemistry B, 118 (49). 14124-14131 doi:10.1021/jp5061182
Liu, Hanchao, Wang, Yimin, Bowman, Joel M. (2015) Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment. The Journal of Chemical Physics, 142 (19). 194502pp. doi:10.1063/1.4921045
Kamarchik, Eugene, Wang, Yimin, Bowman, Joel M. (2011) Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential. The Journal of Chemical Physics, 134 (11). 114311pp. doi:10.1063/1.3567186
Kamarchik, Eugene, Bowman, Joel M. (2010) Quantum Vibrational Analysis of Hydrated Ions Using an ab Initio Potential. The Journal of Physical Chemistry A, 114 (49). 12945-12951 doi:10.1021/jp108255k
Huang, Xinchuan, Carter, Stuart, Bowman, Joel M. (2002) Ab Initio Potential Energy Surface and Vibrational Energies of H3O+and Its Isotopomers†. The Journal of Physical Chemistry B, 106 (33). 8182-8188 doi:10.1021/jp020619i
 
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 16, 2025 21:14:00
Go to top of page