000			03779cam a2200409 i 4500
001			ocn907467407
003			OCoLC
005			20240726104726.0
008			150130s2015 nyua ob 001 0 eng
010			_a2020687309
040			_aDLC _beng _erda _cDLC _dNT _dE7B _dYDXCP _dEBLCP _dDEBSZ _dZCU _dOCLCF
020			_a9781634822312 _q((electronic)l(electronic)ctronic)
050	0	0	_aQD947 _b.I584 2015
049			_aMAIN
100	1		_aWang, Xianlong, _e1
245	1	0	_aInternal rotation in molecular crystals : _bcomputational studies / _cXianlong Wang (Key Laboratory for NeuroInformation of Ministry of Education, School of Life Science and Technology, University of Electronic Science and Technology of China).
260			_aNew York : _bNova Publishers, _c(c)2015.
300			_a1 online resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_adata file _2rda
490	1		_aBiochemisty and molecular biology in the post genomic era
504			_a2
505	0	0	_aINTERNAL ROTATION IN MOLECULAR CRYSTALS: COMPUTATIONAL STUDIES; INTERNAL ROTATION IN MOLECULAR CRYSTALS: COMPUTATIONAL STUDIES; Library of Congress Cataloging-in-Publication Data; CONTENTS; PREFACE; ACKNOWLEDGMENT; Chapter 1: INTRODUCTION; 1.1. MOTIVATION; 1.2. REFERENCES; Chapter 2: INTERNAL ROTATION IN ISOLATED MOLECULES: AROMATIC HYDROCARBONS; 2.1. ABSTRACT; 2.2. INTRODUCTION; 2.3. METHODS; 2.4. RESULTS; 2.5. DISCUSSION; 2.6. CONCLUSION; 2.7. REFERENCES; Chapter 3: INTERNAL ROTATIONS OF AROMATIC HYDROCARBONS IN THE CRYSTALLINE SOLID STATE; 3.1. ABSTRACT; 3.2. INTRODUCTION; 3.3. METHODS.
505	0	0	_a3.4. RESULTS3.5. DISCUSSION; 3.6. CONCLUSION; 3.7. REFERENCES; Chapter 4: INTERNAL ROTATIONS OF THE PHENOLS IN THE ISOLATED MOLECULES; 4.1. ABSTRACT; 4.2. INTRODUCTION; 4.3. METHODS; 4.4. RESULTS; 4.5. DISCUSSION; 4.6. CONCLUSION; 4.7. REFERENCES; Chapter 5: INTERNAL ROTATIONS OF THE PHENOLS IN THE CRYSTALLINE SOLID STATE; 5.1. ABSTRACT; 5.2. INTRODUCTION; 5.3. METHODS; 5.4. RESULTS; 5.5. DISCUSSION; 5.6. CONCLUSION; 5.6. REFERENCES; Chapter 6: INTERNAL ROTATION OF THE CF3 GROUP IN3-(TRIFLUOROMETHYL)PHENANTHRENE; 6.1. ABSTRACT; 6.2. INTRODUCTION; 6.3. METHODS; 6.4. RESULTS; 6.5. DISCUSSION.
505	0	0	_a6.6. CONCLUSION6.7. REFERENCES; Appendix: QUANTUM MECHANICS OF INTERNAL ROTATION; A.1. INTRODUCTION; A.2. Solution of the Schrödinger Equation for the One-Dimensional InternalRotor; A.3. Reorientation Rate of Hindered Rotor; A.4. Applications in Internal Rotations of Methyl, Trifluoromethyl and t-Butyl Groups; A.5. Solution of Internal Rotation Schrödinger Equations: MathematicaCodes; A.6. REFERENCES; INDEX.
520	0		_aThe 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.
530			_a2 _ub
650		0	_aMolecular crystals.
650		0	_aMolecular rotation.
655		1	_aElectronic Books.
856	4	0	_zClick to access digital title | log in using your CIU ID number and my.ciu.edu password. _uhttpss://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=979618&site=eds-live&custid=s3260518
942			_cOB _D _eEB _hQD _m2015 _QOL _R _x _8NFIC _2LOC
994			_a92 _bNT
999			_c76181 _d76181
902			_a1 _bCynthia Snell _c1 _dCynthia Snell