• 1 Intermolecular forces.- 1.1 Introduction.- 1.2 The Born—Oppenheimer approximation.- 1.3 Molecules and forces.- 1.4 The hydrophobic effect.- 1.5 Classification of intermolecular forces.- 1.6 Vibrational contributions to intermolecular forces.- 1.7 Magnitudes of contributions to the interaction energy.- 1.8 Forces between macroscopic bodies.- 1.9 The effect of a medium.- 1.10 The hydrogen bond.- References.- 2 Molecular recognition involving small gas-phase molecules.- 2.1 Introduction.- 2.2 How to determine the angular geometry and strength of intermolecular binding for an isolated dimer.- 2.3 Empirical observations about angular geometries in the series B ... HX.- 2.4 An electrostatic model for the hydrogen bond interaction: the Buckingham — Fowler model.- 2.5 The electrostatic model and non-bonding electron pairs.- 2.6 A point-charge representation of non-bonding electron pairs.- 2.7 Isomerism in weakly bound dimers: incipient molecular recognition.- 2.8 Dimers with two interaction sites.- 2.9 Consequences of the rules for angular geometries in the solid state.- References.- 3 Spectroscopic studies of solvents and solvation.- 3.1 Introduction.- 3.1.1 History.- 3.2 Background.- 3.3 Ultraviolet spectroscopy.- 3.4 ESR spectroscopy.- 3.5 Nuclear magnetic resonance studies.- 3.6 Vibrational chromophoric probes.- 3.7 Near infrared studies.- 3.8 Use of results from vibrational spectroscopy to interpret magnetic resonance data.- 3.9 Solvation in biological systems.- References.- 4 Origins of enantioselectivity in catalytic asymmetric synthesis.- 4.1 Introduction.- 4.2 Homogeneous hydrogenation with rhodium complexes.- 4.3 Hydrogenation with ruthenium complexes.- 4.4 Carbon—carbon bond formation through cross-coupling.- 4.5 Carbon—carbon bond formation through allylicalkylation.- References.- 5 Molecular recognition in the catalytic action of metallo-enzymes.- 5.1 Introduction.- 5.2 Methods for simulating reactions in enzymes and solution.- 5.3 Application to the staphylococcal nuclease reaction.- 5.4 Concluding remarks.- Acknowledgements.- References.- 6 Drug discovery.- 6.1 Introduction.- 6.2 Receptors as targets for drug design.- 6.3 Enzymes as targets for drug design.- 6.4 Drug discovery by screening: concluding remarks.- Acknowledgements.- References.- 7 Time scales and fluctuations of protein dynamics: metmyoglobin in aqueous solution.- 7.1 Introduction.- 7.2 Methods.- 7.3 Spatial and temporal fluctuations.- 7.4 Conclusions.- Acknowledgements.- References.

This text provides excellent background reading for chemists who have an interest in molecular recognition...it is interesting to read and includes over 350 up-to-date references - Chemistry in Britain; ...excellent background reading for chemists who have a interest in molecular recognition, or for those who are keen to move into one of these areas. - Chemistry in Britain.

• 1 Intermolecular forces.- 1.1 Introduction.- 1.2 The Born—Oppenheimer approximation.- 1.3 Molecules and forces.- 1.4 The hydrophobic effect.- 1.5 Classification of intermolecular forces.- 1.6 Vibrational contributions to intermolecular forces.- 1.7 Magnitudes of contributions to the interaction energy.- 1.8 Forces between macroscopic bodies.- 1.9 The effect of a medium.- 1.10 The hydrogen bond.- References.- 2 Molecular recognition involving small gas-phase molecules.- 2.1 Introduction.- 2.2 How to determine the angular geometry and strength of intermolecular binding for an isolated dimer.- 2.3 Empirical observations about angular geometries in the series B ... HX.- 2.4 An electrostatic model for the hydrogen bond interaction: the Buckingham — Fowler model.- 2.5 The electrostatic model and non-bonding electron pairs.- 2.6 A point-charge representation of non-bonding electron pairs.- 2.7 Isomerism in weakly bound dimers: incipient molecular recognition.- 2.8 Dimers with two interaction sites.- 2.9 Consequences of the rules for angular geometries in the solid state.- References.- 3 Spectroscopic studies of solvents and solvation.- 3.1 Introduction.- 3.1.1 History.- 3.2 Background.- 3.3 Ultraviolet spectroscopy.- 3.4 ESR spectroscopy.- 3.5 Nuclear magnetic resonance studies.- 3.6 Vibrational chromophoric probes.- 3.7 Near infrared studies.- 3.8 Use of results from vibrational spectroscopy to interpret magnetic resonance data.- 3.9 Solvation in biological systems.- References.- 4 Origins of enantioselectivity in catalytic asymmetric synthesis.- 4.1 Introduction.- 4.2 Homogeneous hydrogenation with rhodium complexes.- 4.3 Hydrogenation with ruthenium complexes.- 4.4 Carbon—carbon bond formation through cross-coupling.- 4.5 Carbon—carbon bond formation through allylicalkylation.- References.- 5 Molecular recognition in the catalytic action of metallo-enzymes.- 5.1 Introduction.- 5.2 Methods for simulating reactions in enzymes and solution.- 5.3 Application to the staphylococcal nuclease reaction.- 5.4 Concluding remarks.- Acknowledgements.- References.- 6 Drug discovery.- 6.1 Introduction.- 6.2 Receptors as targets for drug design.- 6.3 Enzymes as targets for drug design.- 6.4 Drug discovery by screening: concluding remarks.- Acknowledgements.- References.- 7 Time scales and fluctuations of protein dynamics: metmyoglobin in aqueous solution.- 7.1 Introduction.- 7.2 Methods.- 7.3 Spatial and temporal fluctuations.- 7.4 Conclusions.- Acknowledgements.- References.

This text provides excellent background reading for chemists who have an interest in molecular recognition...it is interesting to read and includes over 350 up-to-date references - Chemistry in Britain; ...excellent background reading for chemists who have a interest in molecular recognition, or for those who are keen to move into one of these areas. - Chemistry in Britain.

• 1 Intermolecular forces.- 1.1 Introduction.- 1.2 The Born—Oppenheimer approximation.- 1.3 Molecules and forces.- 1.4 The hydrophobic effect.- 1.5 Classification of intermolecular forces.- 1.6 Vibrational contributions to intermolecular forces.- 1.7 Magnitudes of contributions to the interaction energy.- 1.8 Forces between macroscopic bodies.- 1.9 The effect of a medium.- 1.10 The hydrogen bond.- References.- 2 Molecular recognition involving small gas-phase molecules.- 2.1 Introduction.- 2.2 How to determine the angular geometry and strength of intermolecular binding for an isolated dimer.- 2.3 Empirical observations about angular geometries in the series B ... HX.- 2.4 An electrostatic model for the hydrogen bond interaction: the Buckingham — Fowler model.- 2.5 The electrostatic model and non-bonding electron pairs.- 2.6 A point-charge representation of non-bonding electron pairs.- 2.7 Isomerism in weakly bound dimers: incipient molecular recognition.- 2.8 Dimers with two interaction sites.- 2.9 Consequences of the rules for angular geometries in the solid state.- References.- 3 Spectroscopic studies of solvents and solvation.- 3.1 Introduction.- 3.1.1 History.- 3.2 Background.- 3.3 Ultraviolet spectroscopy.- 3.4 ESR spectroscopy.- 3.5 Nuclear magnetic resonance studies.- 3.6 Vibrational chromophoric probes.- 3.7 Near infrared studies.- 3.8 Use of results from vibrational spectroscopy to interpret magnetic resonance data.- 3.9 Solvation in biological systems.- References.- 4 Origins of enantioselectivity in catalytic asymmetric synthesis.- 4.1 Introduction.- 4.2 Homogeneous hydrogenation with rhodium complexes.- 4.3 Hydrogenation with ruthenium complexes.- 4.4 Carbon—carbon bond formation through cross-coupling.- 4.5 Carbon—carbon bond formation through allylicalkylation.- References.- 5 Molecular recognition in the catalytic action of metallo-enzymes.- 5.1 Introduction.- 5.2 Methods for simulating reactions in enzymes and solution.- 5.3 Application to the staphylococcal nuclease reaction.- 5.4 Concluding remarks.- Acknowledgements.- References.- 6 Drug discovery.- 6.1 Introduction.- 6.2 Receptors as targets for drug design.- 6.3 Enzymes as targets for drug design.- 6.4 Drug discovery by screening: concluding remarks.- Acknowledgements.- References.- 7 Time scales and fluctuations of protein dynamics: metmyoglobin in aqueous solution.- 7.1 Introduction.- 7.2 Methods.- 7.3 Spatial and temporal fluctuations.- 7.4 Conclusions.- Acknowledgements.- References.

This text provides excellent background reading for chemists who have an interest in molecular recognition...it is interesting to read and includes over 350 up-to-date references - Chemistry in Britain; ...excellent background reading for chemists who have a interest in molecular recognition, or for those who are keen to move into one of these areas. - Chemistry in Britain.