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008			150409s2015 nju ob 001 0 eng
010			_a 2015014391
040			_aDLC _beng _erda _epn _cDLC _dN$T _dIDEBK _dDG1 _dRECBK _dOCLCF _dYDXCP _dCOO _dCDX _dEBLCP _dOCLCQ _dDEBBG _dKSU _dBD-SySUS
019			_a912237441
020			_a9781119044192 _q(pdf)
020			_a1119044197 _q(pdf)
020			_a9781119044291 _q(epub)
020			_a1119044294 _q(epub)
020			_a9781119044307
020			_a1119044308
020			_a1119030986 _q(cloth)
020			_a9781119030980 _q(cloth)
020			_z9781119030980 _q(cloth)
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029	1		_aDEBBG _bBV043397698
035			_a(OCoLC)907133019 _z(OCoLC)912237441
042			_apcc
050	0	0	_aQD543
072		7	_aSCI _x013050 _2bisacsh
082	0	0	_a541/.34 _223
049			_aMAIN
100	1		_aBuncel, E.
245	1	0	_aSolvent effects in chemistry / _cErwin Buncel, Robert A. Stairs.
250			_aSecond edition.
264		1	_aHoboken, New Jersey : _bWiley, _c[2015]
300			_a1 online resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
504			_aIncludes bibliographical references and index.
588	0		_aPrint version record and CIP data provided by publisher.
505	0		_aTitle Page; Copyright Page; Contents; Preface to the Second Edition; Preface to the First Edition; Chapter 1 Physicochemical Foundations; 1.1 GENERALITIES; 1.2 CLASSIFICATION OF SOLVENTS; 1.3 SOLVENTS IN THE WORKPLACE AND THE ENVIRONMENT; 1.4 SOME ESSENTIAL THERMODYNAMICS AND KINETICS: TENDENCY AND RATE; 1.5 EQUILIBRIUM CONSIDERATIONS; 1.6 THERMODYNAMIC TRANSFER FUNCTIONS; 1.7 KINETIC CONSIDERATIONS: COLLISION THEORY; 1.8 TRANSITION-STATE THEORY; 1.9 REACTIONS IN SOLUTION; 1.10 DIFFUSION-CONTROLLED REACTIONS; 1.11 REACTION IN SOLUTION AND THE TRANSITION-STATE THEORY; PROBLEMS.
505	8		_aChapter 2 Unreactive Solvents2.1 INTERMOLECULAR POTENTIALS; 2.2 ACTIVITY AND EQUILIBRIUM IN NONELECTROLYTE SOLUTIONS; 2.3 KINETIC SOLVENT EFFECTS; 2.4 SOLVENT POLARITY; 2.5 ELECTROSTATIC FORCES; 2.6 ELECTROLYTES IN SOLUTION; 2.7 SOLVATION; 2.8 SINGLE ION SOLVATION; 2.9 IONIC ASSOCIATION; 2.10 SOLVENT MIXTURES; 2.11 SALT EFFECTS; PROBLEMS; Chapter 3 Reactive Solvents; 3.1 SPECIFIC SOLUTE/SOLVENT INTERACTIONS; 3.2 HYDROGEN BONDING; 3.3 ACIDS AND BASES IN SOLVENTS; 3.4 BRØNSTED-LOWRY ACIDS AND BASES; 3.5 ACIDITY FUNCTIONS; 3.6 ACIDS AND BASES IN KINETICS; 3.6.1 Mechanisms.
505	8		_a3.6.2 General Acid-Base Catalysis and Brønsted Relationships3.6.3 Solvent-Effect Studies on the Alpha Effect; 3.6.4 The Kinetic Isotope Effect; 3.7 LEWIS ACIDS AND BASES; 3.8 HARD AND SOFT ACIDS AND BASES (HSAB); 3.9 SCALES OF HARDNESS OR SOFTNESS; 3.10 ACIDS AND BASES IN REACTIVE APROTIC SOLVENTS; 3.11 EXTREMES OF ACIDITY AND BASICITY; 3.12 OXIDATION AND REDUCTION; 3.13 ACIDITY/REDOX DIAGRAMS; 3.14 UNIFICATION OF ACID-BASE AND REDOX CONCEPTS; PROBLEMS; Chapter 4 Chemometrics: Solvent Effects and Statistics; 4.1 LINEAR FREE ENERGY RELATIONSHIPS.
505	8		_a4.2 CORRELATIONS BETWEEN EMPIRICAL PARAMETERS AND OTHER MEASURABLE SOLVENT PROPERTIES4.3 REPRESENTATION OF CORRELATION DATA ON THE HEMISPHERE; 4.4 SOME PARTICULAR CASES; 4.5 ACIDITY AND BASICITY PARAMETERS; 4.6 BASE SOFTNESS PARAMETERS; 4.7 CONCLUSION; Chapter 5 Theories of Solvent Effects; 5.1 INTRODUCTION: MODELING; 5.2 QUANTUM-MECHANICAL METHODS; 5.2.1 Ab Initio Methods; 5.2.2 Semiempirical Methods; 5.2.3 Density-Functional Theory; 5.3 STATISTICAL-MECHANICAL METHODS; 5.3.1 MC Method; 5.3.2 Molecular Dynamics; 5.4 INTEGRAL EQUATION THEORIES; 5.5 SOLVATION CALCULATIONS; 5.6 SOME RESULTS.
505	8		_a5.6.1 Microsolvation5.6.2 A Classic Reaction: The SN2 Reaction, Gas-Phase versus Solution; 5.6.3 Solvatochromism: Theoretical Calculations; 5.6.4 Solvation of Organic Molecules; 5.6.5 Bimolecular Reactions: Correcting for Suppressed Translational and Rotational Entropies; 5.6.6 Hydrophobic Solvation; 5.6.7 Solvation of Small Molecules; PROBLEMS; Chapter 6 Dipolar Aprotic Solvents; 6.1 INTRODUCTION; 6.2 ACIDITIES IN DMSO AND THE H-SCALE IN DMSO-H2O MIXTURES; 6.3 USE OF THERMODYNAMIC TRANSFER FUNCTIONS; 6.4 CLASSIFICATION OF RATE PROFILE-MEDIUM EFFECT REACTION TYPES.
520			_aThis book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds. It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as ""green"" chemistry, where uti.
650		0	_aSolvation.
650		0	_aChemical reactions.
650		0	_aSolvents.
650		4	_aChemical reactions.
650		4	_aSolvation.
650		4	_aSolvents.
650		7	_aSCIENCE _xChemistry _xPhysical & Theoretical. _2bisacsh
650		7	_aChemical reactions. _2fast _0(OCoLC)fst00853176
650		7	_aSolvation. _2fast _0(OCoLC)fst01125665
650		7	_aSolvents. _2fast _0(OCoLC)fst01125677
655		4	_aElectronic books.
700	1		_aStairs, R. A. _q(Robert A.)
776	0	8	_iPrint version: _aBuncel, E. _tSolvent effects in chemistry. _dHoboken, New Jersey : Wiley, [2015] _z9781119030980 _w(DLC) 2015010522
856	4	0	_uhttp://onlinelibrary.wiley.com/book/10.1002/9781119044307 _zWiley Online Library [Free Download only for SUST IP]
938			_aCoutts Information Services _bCOUT _n30572242
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