Cut-off radius effect of the isotropic periodic sum method for polar molecules in a bulk water system (Unknown)
- New search for: Takahashi, Kazuaki
- New search for: Narumi, Tetsu
- New search for: Yasuoka, Kenji
- New search for: Takahashi, Kazuaki
- New search for: Narumi, Tetsu
- New search for: Yasuoka, Kenji
In:
Molecular Simulation
;
38
, 5
;
397-403
;
2012
- Article (Journal) / Electronic Resource
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Title:Cut-off radius effect of the isotropic periodic sum method for polar molecules in a bulk water system
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Contributors:
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Published in:Molecular Simulation ; 38, 5 ; 397-403
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Publisher:
- New search for: Taylor & Francis Group
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Publication date:2012-04-01
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Size:7 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Keywords:
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Source:
Table of contents – Volume 38, Issue 5
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 341
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Guest EditorialOkazaki, Susumu et al. | 2012
- 342
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Enthalpy and entropy of transfer of alkanes from water phase to the micelle coreFujimoto, K. / Yoshii, N. / Okazaki, S. et al. | 2012
- 346
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Analyses of coarse graining procedure for mesoscale simulationHyodo, Shi-aki et al. | 2012
- 356
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An evaluation of the thermal properties of H2 and O2 on the basis of ab initio calculations for their intermolecular interactionsKoshi, Mitsuo / Tsuda, Shin-ichi / Shimizu, Kazuya et al. | 2012
- 366
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Binding of Tat peptides on DOPC and DOPG lipid bilayer membrane studied by molecular dynamics simulationsKawamoto, Shuhei / Takasu, Masako / Miyakawa, Takeshi / Morikawa, Ryota / Oda, Tatsuki / Futaki, Shiroh / Nagao, Hidemi et al. | 2012
- 369
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First-principles study of spontaneous polarisation and water dipole moment in ferroelectric ice XIIshii, Fumiyuki / Terada, Kei / Miura, Shinichi et al. | 2012
- 373
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Liquid–solid phase transitions of Lennard-Jones particles confined to slit pores: towards the construction of temperature–pressure-slit width phase diagramKaneko, Toshihiro / Yasuoka, Kenji / Zeng, Xiao Cheng et al. | 2012
- 378
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A variational path integral molecular dynamics method applied to molecular vibrational fluctuationsMiura, Shinichi et al. | 2012
- 384
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Dynamical and thermodynamic properties of Ag+ and Cu+ halide mixturesMatsunaga, Shigeki et al. | 2012
- 389
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A formulation of the ring polymer molecular dynamicsHorikoshi, Atsushi et al. | 2012
- 397
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Cut-off radius effect of the isotropic periodic sum method for polar molecules in a bulk water systemTakahashi, Kazuaki / Narumi, Tetsu / Yasuoka, Kenji et al. | 2012
- 404
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Limits of classical molecular simulation on the estimation of thermodynamic properties of cryogenic hydrogenNagashima, Hiroki / Tokumasu, Takashi / Tsuda, Shin-ichi / Tsuboi, Nobuyuki / Koshi, Mitsuo / Hayashi, A. Koichi et al. | 2012
- 414
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An application of improved force field to fully hydrated DPPC and POPC bilayers in a tensionless NPT ensemble: a test of CHARMM 27-based new force field by Högberg et al.Andoh, Y. / Ito, T. / Okazaki, S. et al. | 2012
- 414
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An application of improved force field to fully hydrated DPPC and POPC bilayers in a tensionless NPT ensemble: a test of CHARMM 27-based new force field by Hogberg et al.Andoh, Y. / Ito, T. / Okazaki, S. et al. | 2012
- 419
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Van der Waals type equation of state for Lennard-Jones fluid and the fluctuation of the potential energy by molecular dynamics simulationsKataoka, Yosuke / Yamada, Yuri et al. | 2012
- 425
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Potential energy surface of 4-hexyl-4′-cyanobiphenyl (6CB) on graphite surface: a DFT study with van der Waals correctionsSakuma, Hiroshi et al. | 2012
- 432
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Thermal conductivity in molten alkali halides: composition dependence in mixtures of (Na–K)ClTakase, Keiichi / Matsumoto, Yukiyo / Sato, Keisuke / Ohtori, Norikazu et al. | 2012
- 437
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Replica-exchange molecular dynamics simulation of a lipid bilayer system with a coarse-grained modelNagai, Tetsuro / Okamoto, Yuko et al. | 2012
- 442
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An improved torsional force field for cis-enol malonaldehydeKurokawa, Yoshihiko / Kojima, Hidekazu / Yamada, Atsushi / Okazaki, Susumu et al. | 2012
- 448
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Inter-atomic force constants from correlation effects among thermal displacement of atoms in PbTeXianglian / Sakuma, T. / Mohapatra, S. R. / Uehara, H. / Takahashi, H. / Kamishima, O. / Igawa, N. et al. | 2012
- 452
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Generalised-ensemble algorithms for studying temperature and pressure dependence of complex systemsMori, Yoshiharu / Okamoto, Yuko et al. | 2012