Internal Rotation in Molecular Crystals

Name: Internal Rotation in Molecular Crystals
Brand: Nova Science Publishers Inc
SKU: 9781634822145
Price: 112727 HUF
Availability: InStock

Computational Studies

Szerző: Xianlong Wang

Nyelv:

Kötés: Kemény kötésű

Kiadó: Nova Science Publishers Inc

Elérhetőség: 50 % esély

Keressük az egész világon

112 727 Ft

The study on molecular rotors and motors is a hot research topic in the current era of nanotechnolog...

Információk a könyvről

Szerző

Xianlong Wang

Nyelv

Angol

Kötés

Könyv - Kemény kötésű

Kiadva

2015

oldal

265

EAN

9781634822145

ISBN

9781634822145

Enbook ID

03198535

Kiadó

Nova Science Publishers Inc

Súly

522

Méretek

266 x 190 x 17

Teljes leírás

The study on molecular rotors and motors is a hot research topic in the current era of nanotechnology. Internal rotation is a ubiquitous motion in most molecules and is considered a bridge to interconnect different energy forms. This monograph is focused on the computational studies on the molecular dynamics of the internal rotation of methyl, tert-butyl and trifluoromethyl groups on aromatic compounds in both isolated molecules and crystalline solids. The methodology and results presented in this book provide the readers a fundamental understanding of factors that affect the molecular rotors. Additionally, not only isolated molecules were studied, but molecular crystals were also simulated using cluster models consisting of 300~500 atoms which were constructed from the high quality X-ray crystallographic structures. Thus, through the comparative studies, the role of intra- and intermolecular interactions for their contributions to the rotational barriers was investigated. The computational results were also compared with the values from experimental studies, such as nuclear magnetic resonance relaxation measurements at variable temperatures.

Érdekelheti

Azok a vásárlók, akik ezt a könyvet megvásárolták, a következőket is megvásárolták

Leggyakrabban keresett

Categories

Authors

Publishers

Termékek

Termékek

Leggyakrabban keresett

Categories

Authors

Publishers

Termékek

Termékek

Internal Rotation in Molecular Crystals

Computational Studies

Információk a könyvről

Teljes leírás

Érdekelheti

Azok a vásárlók, akik ezt a könyvet megvásárolták, a következőket is megvásárolták