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 39; Issue 7
Main
Molecular Simulation
Volume 39; Issue 7
Molecular Simulation
Volume 39; Issue 7
1
Molecular structure, spectroscopic (FT-IR, FT-Raman, UV–vis), NBO, thermochemistry analysis of bis(thiourea)zinc(II) chloride crystals
Meenakshisundaram, S.P.
,
Karthikeyan, B.
,
Muthu, K.
,
Sebastian, S.
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 272 KB
Your tags:
english, 2013
2
Theoretical study on small clusters of BaTiO 3 using DFT calculations
Salazar-Villanueva, M.
,
Hernandez, A. Bautista
,
Anota, E. Chigo
,
Mora, J.I. Rodríguez
,
Ascencio, Jorge A.
,
Cervantes, A. Macias
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 226 KB
Your tags:
english, 2013
3
Pharmacophore models generation by catalyst and phase consensus-based virtual screening protocol against PI3Kα inhibitors
Wang, Fengxiao
,
Chen, Yadong
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 616 KB
Your tags:
english, 2013
4
Effects of crystal orientation and aspect ratio on plastic response of aluminium nanowires under torsion
Wu, Cheng-Da
,
Sung, Po-Hsien
,
Fang, Te-Hua
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 467 KB
Your tags:
english, 2013
5
Computational modelling of novel inhibitors targeting the human GSTP1*D homology domain
Xu, Yu
,
Zheng, Qing-chuan
,
Yu, Li-ying
,
Zhang, Hong-xing
,
Sun, Chia-chung
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 653 KB
Your tags:
english, 2013
6
Charge transfer and optoelectronic properties in the triarylamine-based donor–π bridge–acceptor dyes for dye-sensitised solar cells
Li, Yuanzuo
,
Song, Peng
,
Liu, Jinglin
,
Su, Runzhou
,
Zhao, Meiyu
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 330 KB
Your tags:
english, 2013
7
Phase-transition properties of glycerol-monopalmitate lipid bilayers investigated by molecular dynamics simulation: influence of the system size and force-field parameters
Laner, Monika
,
Horta, Bruno A.C.
,
Hünenberger, Philippe H.
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 454 KB
Your tags:
english, 2013
8
Erratum
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 63 KB
Your tags:
english, 2013
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
×
×