Vote for your favorite mineral in #MinCup25! - Zunyite vs. Molybdenite
It's the visually-unmistakable #zunyite vs the physically funky #molybdenite.
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

Jorgensen, William L., Nguyen, Toan B. (1993) Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions. Journal of Computational Chemistry, 14 (2). 195-205 doi:10.1002/jcc.540140207

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleMonte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions
JournalJournal of Computational Chemistry
AuthorsJorgensen, William L.Author
Nguyen, Toan B.Author
Year1993 (February)Volume14
Issue2
PublisherWiley
DOIdoi:10.1002/jcc.540140207Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3146044Long-form Identifiermindat:1:5:3146044:0
GUID0
Full ReferenceJorgensen, William L., Nguyen, Toan B. (1993) Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions. Journal of Computational Chemistry, 14 (2). 195-205 doi:10.1002/jcc.540140207
Plain TextJorgensen, William L., Nguyen, Toan B. (1993) Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions. Journal of Computational Chemistry, 14 (2). 195-205 doi:10.1002/jcc.540140207
In(1993, February) Journal of Computational Chemistry Vol. 14 (2) Wiley

See Also

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

Jorgensen, William L., Laird, Ellen R., Nguyen, Toan B., Tirado-Rives, Julian (1993) Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions. Journal of Computational Chemistry, 14 (2). 206-215 doi:10.1002/jcc.540140208
Briggs, James M., Matsui, Tooru, Jorgensen, William L. (1990) Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions. Journal of Computational Chemistry, 11 (8). 958-971 doi:10.1002/jcc.540110808
Briggs, James M., Nguyen, Toan B., Jorgensen, William L. (1991) Monte Carlo simulations of liquid acetic acid and methyl acetate with the OPLS potential functions. The Journal of Physical Chemistry, 95 (8). 3315-3322 doi:10.1021/j100161a065
Carlson, Heather A., Nguyen, Toan B., Orozco, Modesto, Jorgensen, William L. (1993) Accuracy of free energies of hydration for organic molecules from 6-31g*-derived partial charges. Journal of Computational Chemistry, 14 (10). 1240-1249 doi:10.1002/jcc.540141013
Jorgensen, William L. (1986) Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds. The Journal of Physical Chemistry, 90 (23). 6379-6388 doi:10.1021/j100281a063
Price, Daniel J., Brooks, Charles L. (2005) Detailed considerations for a balanced and broadly applicable force field: A study of substituted benzenes modeled with OPLS-AA. Journal of Computational Chemistry, 26 (14). 1529-1541 doi:10.1002/jcc.20284
Jorgensen, William L. (2024) Enthalpies and entropies of hydration from Monte Carlo simulations. Physical Chemistry Chemical Physics, 26 (10) 8141-8147 doi:10.1039/d4cp00297k
Jorgensen, William L., Gao, Jiali (1986) Monte Carlo simulations of the hydration of ammonium and carboxylate ions. The Journal of Physical Chemistry, 90 (10). 2174-2182 doi:10.1021/j100401a037
Essex, Jonathan W., Jorgensen, William L. (1995) An empirical boundary potential for water droplet simulations. Journal of Computational Chemistry, 16 (8). 951-972 doi:10.1002/jcc.540160805
Jorgensen, William L. (2024) Monte Carlo simulations for free energies of hydration: Past to present. The Journal of Chemical Physics, 161 (6). doi:10.1063/5.0222659
Orozco, Modesto, Jorgensen, William L., Luque, F.J. (1993) Comparison of 6-31G*-based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral molecules. Journal of Computational Chemistry, 14 (12). 1498-1503 doi:10.1002/jcc.540141212
 
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 Β© 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 12, 2025 09:34:14
Go to top of page