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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 96, 1999 - Issue 8
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Original Articles

Isotope effect of hydrated clusters of hydrogen chloride, HCl(H2O)n and DCl(H2O)n (n = 0–4): application of dynamic extended molecular orbital method

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Pages 1207-1215 | Received 02 Oct 1998, Accepted 24 Nov 1998, Published online: 01 Sep 2009

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Arteum D. Bochevarov, Edward F. Valeev & C. David SheRrill. (2004) The electron and nuclear orbitals model: current challenges and future prospects. Molecular Physics 102:1, pages 111-123.
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Yasuyuki ISHIKAWA. (2016) Special Contribution to The Quantum Hydrogen Issue of <b><i>Journal of Computer Chemistry, Japan</i></b>. Journal of Computer Chemistry, Japan 15:5, pages A52-A54.
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Takayoshi Ishimoto & Masanori Tachikawa. 2013. Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology. Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology 303 329 .
Takayoshi Ishimoto & Masanori Tachikawa. (2012) Theoretical Study on the Phase Transition and the H/D Isotope Effect of Squaric Acid. Solid State Phenomena 189, pages 169-177.
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Mohammad Goli & Shant Shahbazian. (2012) The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations. Theoretical Chemistry Accounts 131:5.
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Philippe Parent, Jérôme Lasne, Guillaume Marcotte & Carine Laffon. (2011) HCl adsorption on ice at low temperature: a combined X-ray absorption, photoemission and infrared study. Physical Chemistry Chemical Physics 13:15, pages 7142.
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Shuichi Sugawara, Takehiro Yoshikawa, Toshiyuki Takayanagi & Masanori Tachikawa. (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 501:4-6, pages 238-244.
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Toshiyuki Takayanagi, Kenta Takahashi, Akira Kakizaki, Motoyuki Shiga & Masanori Tachikawa. (2009) Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H2O)4 on a semiempirical potential energy surface. Chemical Physics 358:3, pages 196-202.
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P. Behr, U. Scharfenort, K. Ataya & R. Zellner. (2009) Dynamics and mass accommodation of HCl molecules on sulfuric acid–water surfaces. Physical Chemistry Chemical Physics 11:36, pages 8048.
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M. Ortlieb, Ö. Birer, M. Letzner, G. W. Schwaab & M. Havenith. (2007) Observation of Rovibrational Transitions of HCl, (HCl) 2 , and H 2 O−HCl in Liquid Helium Nanodroplets . The Journal of Physical Chemistry A 111:49, pages 12192-12199.
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Takayoshi Ishimoto, Masanori Tachikawa & Umpei Nagashima. (2006) Analysis of exponent values in Gaussian‐type functions for development of protonic and deuteronic basis functions. International Journal of Quantum Chemistry 106:7, pages 1465-1476.
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Chet Swalina & Sharon Hammes-Schiffer. (2005) Impact of Nuclear Quantum Effects on the Molecular Structure of Bihalides and the Hydrogen Fluoride Dimer. The Journal of Physical Chemistry A 109:45, pages 10410-10417.
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Masanori Tachikawa. (2004) A density functional study on hydrated clusters of orthoboric acid, B(OH)3(H2O) (n=1–5). Journal of Molecular Structure: THEOCHEM 710:1-3, pages 139-150.
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Masanori Tachikawa. (2003) Multi-component molecular orbital study of isotope effects on lithium hydride molecules with the configuration interaction scheme. Journal of Molecular Structure: THEOCHEM 630:1-3, pages 75-79.
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Masanori Tachikawa. (2002) Multi-component molecular orbital theory for electrons and nuclei including many-body effect with full configuration interaction treatment: isotope effects on hydrogen molecules. Chemical Physics Letters 360:5-6, pages 494-500.
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Bradley R. Ringeisen, Annabel H. Muenter & Gilbert M. Nathanson. (2002) Collisions of DCl with Liquid Glycerol:  Evidence for Rapid, Near-Interfacial D → H Exchange and Desorption. The Journal of Physical Chemistry B 106:19, pages 4999-5010.
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Marcus Weimann, Michal Fárník & Martin A. Suhm. (2002) A first glimpse at the acidic proton vibrations in HCl–water clusters via supersonic jet FTIR spectroscopy. Phys. Chem. Chem. Phys. 4:16, pages 3933-3937.
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Masanori Tachikawa. (2001) Simultaneous optimization of Gaussian type function exponents for electron and positron with full-CI wavefunction – application to ground and excited states of positronic compounds with multi-component molecular orbital approach. Chemical Physics Letters 350:3-4, pages 269-276.
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Motoyuki Shiga, Masanori Tachikawa & Shinichi Miura. (2000) Ab initio molecular orbital calculation considering the quantum mechanical effect of nuclei by path integral molecular dynamics. Chemical Physics Letters 332:3-4, pages 396-402.
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Cristina P Gonçalves & José R Mohallem. (2000) Ab initio isotope simulated dynamics in the adiabatic approximation. Chemical Physics Letters 320:1-2, pages 118-122.
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