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 ChemistryMineral Visual ExplorerAdvanced 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 QuizTime Machine
Photo SearchPhoto GalleriesSearch by ColorPhoto Colour ExplorerNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Yoshikawa, Takehiro, Sugawara, Shuichi, Takayanagi, Toshiyuki, Shiga, Motoyuki, Tachikawa, Masanori (2012) Quantum tautomerization in porphycene and its isotopomers: Path-integral molecular dynamics simulations. Chemical Physics, 394. 46-51 doi:10.1016/j.chemphys.2011.12.007

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleQuantum tautomerization in porphycene and its isotopomers: Path-integral molecular dynamics simulations
JournalChemical Physics
AuthorsYoshikawa, TakehiroAuthor
Sugawara, ShuichiAuthor
Takayanagi, ToshiyukiAuthor
Shiga, MotoyukiAuthor
Tachikawa, MasanoriAuthor
Year2012 (February)Volume394
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.12.007Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5962828Long-form Identifiermindat:1:5:5962828:8
GUID0
Full ReferenceYoshikawa, Takehiro, Sugawara, Shuichi, Takayanagi, Toshiyuki, Shiga, Motoyuki, Tachikawa, Masanori (2012) Quantum tautomerization in porphycene and its isotopomers: Path-integral molecular dynamics simulations. Chemical Physics, 394. 46-51 doi:10.1016/j.chemphys.2011.12.007
Plain TextYoshikawa, Takehiro, Sugawara, Shuichi, Takayanagi, Toshiyuki, Shiga, Motoyuki, Tachikawa, Masanori (2012) Quantum tautomerization in porphycene and its isotopomers: Path-integral molecular dynamics simulations. Chemical Physics, 394. 46-51 doi:10.1016/j.chemphys.2011.12.007
In(n.d.) Chemical Physics Vol. 394. Elsevier BV

See Also

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

Yoshikawa, Takehiro, Sugawara, Shuichi, Takayanagi, Toshiyuki, Shiga, Motoyuki, Tachikawa, Masanori (2010) Theoretical study on the mechanism of double proton transfer in porphycene by path-integral molecular dynamics simulations. Chemical Physics Letters, 496. 14-19 doi:10.1016/j.cplett.2010.07.009
Sugawara, Shuichi, Yoshikawa, Takehiro, Takayanagi, Toshiyuki, Shiga, Motoyuki, Tachikawa, Masanori (2011) Quantum Proton Transfer in Hydrated Sulfuric Acid Clusters: A Perspective from Semiempirical Path Integral Simulations. The Journal of Physical Chemistry A, 115 (42). 11486-11494 doi:10.1021/jp202380h
Yoshikawa, Takehiro, Motegi, Haruki, Kakizaki, Akira, Takayanagi, Toshiyuki, Shiga, Motoyuki, Tachikawa, Masanori (2009) Path-integral molecular dynamics simulations of glycine·(H2O)n (n=1–7) clusters on semi-empirical PM6 potential energy surfaces. Chemical Physics, 365. 60-68 doi:10.1016/j.chemphys.2009.09.026
Takayanagi, Toshiyuki, Yoshikawa, Takehiro, Motegi, Haruki, Shiga, Motoyuki (2009) Path-integral molecular dynamics simulations for water anion clusters (H2O)5-Chemical Physics Letters, 482. 195-200 doi:10.1016/j.cplett.2009.09.107
Sugawara, Shuichi, Yoshikawa, Takehiro, Takayanagi, Toshiyuki, Tachikawa, Masanori (2011) Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H2O)4 cluster with path-integral molecular dynamics simulations. Chemical Physics Letters, 501. 238-244 doi:10.1016/j.cplett.2010.11.051
Takayanagi, Toshiyuki, Takahashi, Kenta, Kakizaki, Akira, Shiga, Motoyuki, Tachikawa, Masanori (2009) Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H2O)4 on a semiempirical potential energy surface. Chemical Physics, 358. 196-202 doi:10.1016/j.chemphys.2009.01.014
Kakizaki, Akira, Motegi, Haruki, Yoshikawa, Takehiro, Takayanagi, Toshiyuki, Shiga, Motoyuki, Tachikawa, Masanori (2009) Path-integral molecular dynamics simulations of small hydrated sulfuric acid clusters H2SO4·(H2O)n (n=1–6) on semiempirical PM6 potential surfaces. Journal of Molecular Structure: THEOCHEM, 901. 1-8 doi:10.1016/j.theochem.2009.01.022
Takayanagi, Toshiyuki, Yoshikawa, Takehiro, Kakizaki, Akira, Shiga, Motoyuki, Tachikawa, Masanori (2008) Molecular dynamics simulations of small glycine–(H2O)n (n=2–7) clusters on semiempirical PM6 potential energy surfaces. Journal of Molecular Structure: THEOCHEM, 869. 29-36 doi:10.1016/j.theochem.2008.08.016
Kakizaki, Akira, Takayanagi, Toshiyuki, Shiga, Motoyuki (2007) Path integral molecular dynamics calculations of the H6+ and
 
and/or  
Mindat.org® is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization. Mindat® and mindat.org® are registered trademarks of the Hudson Institute of Mineralogy.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2026, 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 and Ida Chau.
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: June 8, 2026 00:42:48