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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

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Reference TypeJournal (article/letter/editorial)
TitlePath-integral molecular dynamics simulations of glycine·(H2O)n (n=1–7) clusters on semi-empirical PM6 potential energy surfaces
JournalChemical Physics
AuthorsYoshikawa, TakehiroAuthor
Motegi, HarukiAuthor
Kakizaki, AkiraAuthor
Takayanagi, ToshiyukiAuthor
Shiga, MotoyukiAuthor
Tachikawa, MasanoriAuthor
Year2009 (November)Volume365
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2009.09.026Search in ResearchGate
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Mindat Ref. ID5962130Long-form Identifiermindat:1:5:5962130:0
GUID0
Full ReferenceYoshikawa, 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
Plain TextYoshikawa, 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
In(n.d.) Chemical Physics Vol. 365. Elsevier BV

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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
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
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
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
Motegi, Haruki, Kakizaki, Akira, Takayanagi, Toshiyuki, Taketsugu, Yuriko, Taketsugu, Tetsuya, Shiga, Motoyuki (2008) Path-integral molecular dynamics simulations of BeO embedded in helium clusters: Formation of the stable HeBeO complex. Chemical Physics, 354. 38-43 doi:10.1016/j.chemphys.2008.09.001
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
Kakizaki, Akira, Takayanagi, Toshiyuki, Shiga, Motoyuki (2007) Path integral molecular dynamics calculations of the H6+ and
 
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