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

See Also

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

	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
	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
	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
	Kakizaki, Akira, Takayanagi, Toshiyuki, Shiga, Motoyuki (2007) Path integral molecular dynamics calculations of the H6+ and (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
	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, 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
	Hayashi, Aiko, Shiga, Motoyuki, Tachikawa, Masanori (2005) Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2. Chemical Physics Letters, 410. 54-58 doi:10.1016/j.cplett.2005.05.035