Vote for your favorite mineral in #MinCup25! - Carpathite vs. Tugtupite
Battle of mineralogical oddities as organic mineral #carpathite battles against vs #tugtupite, a mineral that looks like reindeer blood!
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

Grafton, Anthony K., Wheeler, Ralph A. (1998) Vibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules. Journal of Computational Chemistry, 19 (14). 1663-1674 doi:10.1002/(sici)1096-987x(19981115)19:14<1663::aid-jcc11>3.0.co;2-h

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleVibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules
JournalJournal of Computational Chemistry
AuthorsGrafton, Anthony K.Author
Wheeler, Ralph A.Author
Year1998 (November 15)Volume19
Issue14
PublisherWiley
DOIdoi:10.1002/(sici)1096-987x(19981115)19:14<1663::aid-jcc11>3.0.co;2-hSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID3147003Long-form Identifiermindat:1:5:3147003:0
GUID0
Full ReferenceGrafton, Anthony K., Wheeler, Ralph A. (1998) Vibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules. Journal of Computational Chemistry, 19 (14). 1663-1674 doi:10.1002/(sici)1096-987x(19981115)19:14<1663::aid-jcc11>3.0.co;2-h
Plain TextGrafton, Anthony K., Wheeler, Ralph A. (1998) Vibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules. Journal of Computational Chemistry, 19 (14). 1663-1674 doi:10.1002/(sici)1096-987x(19981115)19:143.0.co;2-h
In(1998, November) Journal of Computational Chemistry Vol. 19 (14) Wiley

See Also

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

Evans, Tom J., Truong, Thanh N. (1998) Optimizing efficiency of perturbative Monte Carlo method. Journal of Computational Chemistry, 19 (14). 1632-1638 doi:10.1002/(sici)1096-987x(19981115)19:14<1632::aid-jcc9>3.0.co;2-k
Wu, Xiong-Wu, Sung, Shen-Shu (1998) Constraint dynamics algorithm for simulation of semiflexible macromolecules. Journal of Computational Chemistry, 19 (14). 1555-1566 doi:10.1002/(sici)1096-987x(19981115)19:14<1555::aid-jcc1>3.0.co;2-i
Grafton, Anthony K., Wheeler, Ralph A. (1998) ViPA: A computer program for vector projection analysis of normal vibrational modes of molecules. Computer Physics Communications, 113. 78-84 doi:10.1016/s0010-4655(98)00038-1
Vieth, Michal, Hirst, Jonathan D., Kolinski, Andrzej, Brooks, Charles L. (1998) Assessing energy functions for flexible docking. Journal of Computational Chemistry, 19 (14). 1612-1622 doi:10.1002/(sici)1096-987x(19981115)19:14<1612::aid-jcc7>3.0.co;2-m
Hertwig, Roland H., Koch, Wolfram, Yates, Brian F. (1998) Economical treatments of relativistic effects and electron correlation in WH6. Journal of Computational Chemistry, 19 (14). 1604-1611 doi:10.1002/(sici)1096-987x(19981115)19:14<1604::aid-jcc6>3.0.co;2-n
Vieth, Michal, Hirst, Jonathan D., Dominy, Brian N., Daigler, Heidi, Brooks, Charles L. (1998) Assessing search strategies for flexible docking. Journal of Computational Chemistry, 19 (14). 1623-1631 doi:10.1002/(sici)1096-987x(19981115)19:14<1623::aid-jcc8>3.0.co;2-l
Hassanzedeh, Parviz, Irikura, Karl K. (1998) Inexpensive vibrational anharmonicities from estimated derivatives: Diatomic molecules. Journal of Computational Chemistry, 19 (11). 1315-1324 doi:10.1002/(sici)1096-987x(199808)19:11<1315::aid-jcc11>3.0.co;2-k
JELSKI, DANIEL A., HALEY, RANDALL H., BOWMAN, JOEL M. (1996) New vibrational self-consistent field program for large molecules. Journal of Computational Chemistry, 17 (14). 1645-1652 doi:10.1002/(sici)1096-987x(19961115)17:14<1645::aid-jcc6>3.0.co;2-l
Parusel, Andreas B. J., Schamschule, Rudolf, K�hler, Gottfried (1998) Theoretical description of solvent effects on fluorescence spectra of bulky charge transfer compound DMA-DMPP. Journal of Computational Chemistry, 19 (14). 1584-1595 doi:10.1002/(sici)1096-987x(19981115)19:14<1584::aid-jcc4>3.0.co;2-f
Amat, Llu�s, Carb�-Dorca, Ramon, Ponec, Robert (1998) Molecular quantum similarity measures as an alternative to log P values in QSAR studies. Journal of Computational Chemistry, 19 (14). 1575-1583 doi:10.1002/(sici)1096-987x(19981115)19:14<1575::aid-jcc3>3.0.co;2-g
Smeyers, N. J., Melendez, F. J., Smeyers, Y. G. (1998) Exploring potential energy hypersurfaces for triple symmetric inversion in 3-azabicyclo[3.3.1]nonan-9-one and itsN-methyl derivative. Journal of Computational Chemistry, 19 (14). 1567-1574 doi:10.1002/(sici)1096-987x(19981115)19:14<1567::aid-jcc2>3.0.co;2-h
 
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 20, 2025 23:27:59
Go to top of page