books search
books
articles search
articles
Donate
Log In
Log In
to access more features
personal recommendations
Telegram Bot
download history
send to Email or Kindle
manage booklists
save to favorites
Explore
Journals
Contribution
Donate
Litera Library
Donate paper books
Add paper books
Open LITERA Point
Volume 38; Issue 5
Main
Molecular Simulation
Volume 38; Issue 5
Molecular Simulation
Volume 38; Issue 5
1
Generalised-ensemble algorithms for studying temperature and pressure dependence of complex systems
Mori, Yoshiharu
,
Okamoto, Yuko
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 412 KB
Your tags:
english, 2012
2
Enthalpy and entropy of transfer of alkanes from water phase to the micelle core
Fujimoto, K.
,
Yoshii, N.
,
Okazaki, S.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 1.91 MB
Your tags:
english, 2012
3
Inter-atomic force constants from correlation effects among thermal displacement of atoms in PbTe
Xianglian,
,
Sakuma, T.
,
Mohapatra, S. R.
,
Uehara, H.
,
Takahashi, H.
,
Kamishima, O.
,
Igawa, N.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 175 KB
Your tags:
english, 2012
4
Analyses of coarse graining procedure for mesoscale simulation
Hyodo, Shi-aki
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 197 KB
Your tags:
english, 2012
5
An evaluation of the thermal properties of H2 and O2 on the basis of ab initio calculations for their intermolecular interactions
Koshi, Mitsuo
,
Tsuda, Shin-ichi
,
Shimizu, Kazuya
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 295 KB
Your tags:
english, 2012
6
Binding of Tat peptides on DOPC and DOPG lipid bilayer membrane studied by molecular dynamics simulations
Kawamoto, Shuhei
,
Takasu, Masako
,
Miyakawa, Takeshi
,
Morikawa, Ryota
,
Oda, Tatsuki
,
Futaki, Shiroh
,
Nagao, Hidemi
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 146 KB
Your tags:
english, 2012
7
First-principles study of spontaneous polarisation and water dipole moment in ferroelectric ice XI
Ishii, Fumiyuki
,
Terada, Kei
,
Miura, Shinichi
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 154 KB
Your tags:
english, 2012
8
Dynamical and thermodynamic properties of Ag+ and Cu+ halide mixtures
Matsunaga, Shigeki
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 214 KB
Your tags:
english, 2012
9
A formulation of the ring polymer molecular dynamics
Horikoshi, Atsushi
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 231 KB
Your tags:
english, 2012
10
Limits of classical molecular simulation on the estimation of thermodynamic properties of cryogenic hydrogen
Nagashima, Hiroki
,
Tokumasu, Takashi
,
Tsuda, Shin-ichi
,
Tsuboi, Nobuyuki
,
Koshi, Mitsuo
,
Hayashi, A. Koichi
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 469 KB
Your tags:
english, 2012
11
An improved torsional force field for cis-enol malonaldehyde
Kurokawa, Yoshihiko
,
Kojima, Hidekazu
,
Yamada, Atsushi
,
Okazaki, Susumu
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 184 KB
Your tags:
english, 2012
12
Van der Waals type equation of state for Lennard-Jones fluid and the fluctuation of the potential energy by molecular dynamics simulations
Kataoka, Yosuke
,
Yamada, Yuri
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 308 KB
Your tags:
english, 2012
13
Replica-exchange molecular dynamics simulation of a lipid bilayer system with a coarse-grained model
Nagai, Tetsuro
,
Okamoto, Yuko
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 310 KB
Your tags:
english, 2012
14
Cut-off radius effect of the isotropic periodic sum method for polar molecules in a bulk water system
Takahashi, Kazuaki
,
Narumi, Tetsu
,
Yasuoka, Kenji
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 346 KB
Your tags:
english, 2012
15
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.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 151 KB
Your tags:
english, 2012
16
A variational path integral molecular dynamics method applied to molecular vibrational fluctuations
Miura, Shinichi
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 166 KB
Your tags:
english, 2012
17
Thermal conductivity in molten alkali halides: composition dependence in mixtures of (Na–K)Cl
Takase, Keiichi
,
Matsumoto, Yukiyo
,
Sato, Keisuke
,
Ohtori, Norikazu
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 207 KB
Your tags:
english, 2012
18
Potential energy surface of 4-hexyl-4′-cyanobiphenyl (6CB) on graphite surface: a DFT study with van der Waals corrections
Sakuma, Hiroshi
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 313 KB
Your tags:
english, 2012
19
Liquid–solid phase transitions of Lennard-Jones particles confined to slit pores: towards the construction of temperature–pressure-slit width phase diagram
Kaneko, Toshihiro
,
Yasuoka, Kenji
,
Zeng, Xiao Cheng
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 148 KB
Your tags:
english, 2012
20
Guest Editorial
Okazaki, Susumu
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 32 KB
Your tags:
english, 2012
1
Follow
this link
or find "@BotFather" bot on Telegram
2
Send /newbot command
3
Specify a name for your chatbot
4
Choose a username for the bot
5
Copy an entire last message from BotFather and paste it here
×
×