Vote for your favorite mineral in #MinCup25! - Stibnite vs. Perovskite
It's all about how minerals interact with humans as dramatic #stibnite 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

Sando, Gerald M., Spears, Kenneth G. (2001) Ab Initio Computation of the Duschinsky Mixing of Vibrations and Nonlinear Effects. The Journal of Physical Chemistry A, 105 (22). 5326-5333 doi:10.1021/jp004230b

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleAb Initio Computation of the Duschinsky Mixing of Vibrations and Nonlinear Effects
JournalThe Journal of Physical Chemistry A
AuthorsSando, Gerald M.Author
Spears, Kenneth G.Author
Year2001 (June)Volume105
Issue22
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp004230bSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID3942009Long-form Identifiermindat:1:5:3942009:5
GUID0
Full ReferenceSando, Gerald M., Spears, Kenneth G. (2001) Ab Initio Computation of the Duschinsky Mixing of Vibrations and Nonlinear Effects. The Journal of Physical Chemistry A, 105 (22). 5326-5333 doi:10.1021/jp004230b
Plain TextSando, Gerald M., Spears, Kenneth G. (2001) Ab Initio Computation of the Duschinsky Mixing of Vibrations and Nonlinear Effects. The Journal of Physical Chemistry A, 105 (22). 5326-5333 doi:10.1021/jp004230b
In(2001, June) The Journal of Physical Chemistry A Vol. 105 (22) American Chemical Society (ACS)

See Also

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

Sando, Gerald M., Spears, Kenneth G., Hupp, Joseph T., Ruhoff, Peder Thusgaard (2001) Large Electron Transfer Rate Effects from the Duschinsky Mixing of Vibrations. The Journal of Physical Chemistry A, 105 (22). 5317-5325 doi:10.1021/jp004229c
Sando, Gerald M., Spears, Kenneth G. (2004) Density Functional Theory Studies of the Co(Cp)2|V(CO)6Radical-Pair System. The Journal of Physical Chemistry A, 108 (7). 1290-1297 doi:10.1021/jp036383f
Sando, Gerald M., Ray, Anandhi, Spreer, Larry O., Spears, Kenneth G., Hupp, Joseph T. (2000) Resonance Raman and Semiempirical Electronic Structure Studies of an Odd-Electron Dinickel Tetraiminoethylenedimacrocycle Complex. Inorganic Chemistry, 39 (17) 3911-3914 doi:10.1021/ic991326f
Okamoto, Yasuharu (2001) Ab Initio Investigation of Hydrogenation of C60. The Journal of Physical Chemistry A, 105 (32). 7634-7637 doi:10.1021/jp0104583
Pinsook, Udomsilp, Scheicher, Ralph H., Ahuja, Rajeev, Hannongbua, Supot (2008) Internal Vibrations of the Li(NH3)4+Complex Analyzed from Ab Initio, Density Functional Theory, And the Classical Spring Network Model. The Journal of Physical Chemistry A, 112 (24). 5323-5326 doi:10.1021/jp801359s
Rodgers, M. T. (2001) Substituent Effects in the Binding of Alkali Metal Ions to Pyridines, Studied by Threshold Collision-Induced Dissociation and ab Initio Theory: The Methylpyridines†. The Journal of Physical Chemistry A, 105 (11). 2374-2383 doi:10.1021/jp004055z
Rodgers, M. T. (2001) Substituent Effects in the Binding of Alkali Metal Ions to Pyridines Studied by Threshold Collision-Induced Dissociation and ab Initio Theory:  The Aminopyridines. The Journal of Physical Chemistry A, 105 (35). 8145-8153 doi:10.1021/jp011555z
Lavrentiev, M. Yu., Allan, N. L., Barrera, G. D., Purton, J. A. (2001) Ab Initio Calculation of Phase Diagrams of Oxides. The Journal of Physical Chemistry B, 105 (17). 3594-3599 doi:10.1021/jp004124+
Bartels, David M., Spears, Kenneth G. (1982) Rotational effects in the intermediate-case radiationless decay of pyrimidine. The Journal of Physical Chemistry, 86 (26). 5180-5191 doi:10.1021/j100223a025
Wander, A., Harrison, N. M. (2001) An ab Initio Study of Hydrogen Adsorption on ZnO(101Ì„0). The Journal of Physical Chemistry B, 105 (26). 6191-6193 doi:10.1021/jp004627f
Thurman, Glenn M., Steckler, Rozeanne (2001) Ab Initio Direct Dynamics Study of OOH + H → H2+3O2†. The Journal of Physical Chemistry A, 105 (11). 2192-2197 doi:10.1021/jp001599s
 
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 18, 2025 14:59:41
Go to top of page