Vote for your favorite mineral in #MinCup25! - Dioptase vs. Wavellite
It's a green, green world for kiwi #wavellite vs desert emerald #dioptase.
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

Boero, Mauro, Terakura, Kiyoyuki, Parrinello, Michele (2002) First Principles Molecular Dynamics Study of Catalysis for Polyolefins: the Ziegler-Natta Heterogeneous System. International Journal of Molecular Sciences, 3. 395-406 doi:10.3390/i3040395

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleFirst Principles Molecular Dynamics Study of Catalysis for Polyolefins: the Ziegler-Natta Heterogeneous System.
JournalInternational Journal of Molecular Sciences
AuthorsBoero, MauroAuthor
Terakura, KiyoyukiAuthor
Parrinello, MicheleAuthor
Year2002 (April 25)Volume3
PublisherMDPI AG
DOIdoi:10.3390/i3040395Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID10054572Long-form Identifiermindat:1:5:10054572:6
GUID0
Full ReferenceBoero, Mauro, Terakura, Kiyoyuki, Parrinello, Michele (2002) First Principles Molecular Dynamics Study of Catalysis for Polyolefins: the Ziegler-Natta Heterogeneous System. International Journal of Molecular Sciences, 3. 395-406 doi:10.3390/i3040395
Plain TextBoero, Mauro, Terakura, Kiyoyuki, Parrinello, Michele (2002) First Principles Molecular Dynamics Study of Catalysis for Polyolefins: the Ziegler-Natta Heterogeneous System. International Journal of Molecular Sciences, 3. 395-406 doi:10.3390/i3040395
In(n.d.) International Journal of Molecular Sciences Vol. 3. MDPI AG

See Also

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

Boero, Mauro, Parrinello, Michele, Terakura, Kiyoyuki (1998) First Principles Molecular Dynamics Study of Ziegler−Natta Heterogeneous Catalysis. Journal Of The American Chemical Society, 120 (12) 2746-2752 doi:10.1021/ja972367i
BOERO, MAURO, PARRINELLO, MICHELE, TERAKURA, KIYOYUKI, WEISS, HORST (2002) Car—Parrinello study of Ziegler—Natta heterogeneous catalysis: stability and destabilization problems of the active site models. Molecular Physics, 100. 2935-2940 doi:10.1080/00268970110109899
Boero, Mauro, Parrinello, Michele, Hüffer, Stephan, Weiss, Horst (2000) First Principles Study of Propene Polymerization in Ziegler−Natta Heterogeneous Catalysis. Journal Of The American Chemical Society, 122 (3) 501-509 doi:10.1021/ja990913x
Boero, M., Parrinello, M., Terakura, K. (1999) Ziegler–Natta heterogeneous catalysis by first principles computer experiments. Surface Science, 438 (1). 1-8 doi:10.1016/s0039-6028(99)00537-3
Boero, Mauro, Parrinello, Michele, Terakura, Kiyoyuki, Ikeshoji, Tamio, Liew, Chee Chin (2003) First-Principles Molecular-Dynamics Simulations of a Hydrated Electron in Normal and Supercritical Water. Physical Review Letters, 90 (22). doi:10.1103/physrevlett.90.226403
Boero, Mauro, Terakura, Kiyoyuki, Ikeshoji, Tamio, Liew, Chee Chin, Parrinello, Michele (2000) Hydrogen Bonding and Dipole Moment of Water at Supercritical Conditions: A First-Principles Molecular Dynamics Study. Physical Review Letters, 85 (15). 3245-3248 doi:10.1103/physrevlett.85.3245
Boero, Mauro, Terakura, Kiyoyuki, Ikeshoji, Tamio, Liew, Chee Chin, Parrinello, Michele (2001) Water at supercritical conditions: A first principles study. The Journal of Chemical Physics, 115 (5). 2219-2227 doi:10.1063/1.1379767
Boero, Mauro, Parrinello, Michele, Weiss, Horst, Hüffer, Stephan (2001) A First Principles Exploration of a Variety of Active Surfaces and Catalytic Sites in Ziegler−Natta Heterogeneous Catalysis. The Journal of Physical Chemistry A, 105 (21). 5096-5105 doi:10.1021/jp010780d
Ikeda, Takashi, Boero, Mauro, Terakura, Kiyoyuki (2007) Hydration of alkali ions from first principles molecular dynamics revisited. The Journal of Chemical Physics, 126 (3). 34501pp. doi:10.1063/1.2424710
Ikeda, Takashi, Boero, Mauro, Terakura, Kiyoyuki (2007) Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamics. The Journal of Chemical Physics, 127 (7). 74503pp. doi:10.1063/1.2768063
Boero, Mauro, Terakura, Kiyoyuki, Tateno, Masaru (2002) Catalytic Role of Metal Ion in the Selection of Competing Reaction Paths:  A First Principles Molecular Dynamics Study of the Enzymatic Reaction in Ribozyme. Journal Of The American Chemical Society, 124 (30) 8949-8957 doi:10.1021/ja017843q
 
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 10, 2025 14:04:37
Go to top of page