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Molecular Modelling for Beginners
Taschenbuch von Alan Hinchliffe
Sprache: Englisch

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Beschreibung
Chapter 1: Electric charges and their properties.

Chapter 2: The Forces between Molecules.

Chapter 3: Balls on Springs.

Chapter 4: Molecular Mechanics (MM).

Chapter 5: The Molecular Potential Energy Surface (PES).

Chapter 6: Molecular Mechanics Examples.

Chapter 7: Sharing out the energy.

Chapter 8: Quick guide to Statistical Thermodynamics.

Chapter 9: Monte Carlo Simulations.

Chapter 10: Molecular Dynamics.

Chapter 11: Introduction to quantum modeling.

Chapter 12: Quantum Gases.

Chapter 13: One-electron atoms.

Chapter 14: The orbital model.

Chapter 15: Simple molecules..

Chapter 16: The HF-LCAO model.

Chapter17: HF-LCAO examples.

Chapter 18: Semiempirical models.

Chapter 19: Electron Correlation.

Chapter 20: Density functional theory and the Kohn-Sham LCAO equations.

Chapter 21: Accurate thermodynamic properties; the Gn models.

Chapter 22: Transition states.

Chapter 23: Dealing with the Solvent.

Chapter 24: Hybrid Models.

[...]ENList of contributors.

Preface.

Part I Developing crime mapping.

1 Developing geographical information systems and crime mapping tools in New Zealand (Andy Gilmour and Jill Barclay).

2 An analytical technique for addressing geographical referencing difficulties and monitoring crimes in Rio de Janeiro, Brazil (Ana Paula Mendes de Miranda and Marcus Ferreira).

3 Methods for implementing crime mapping within a large law enforcement agency: experiences from Victoria, Australia (Timothy Mashford).

4 Automating briefings for police officers (Tom Casady).

Part II Geographical investigative analysis.

5 Geographic profiling analysis: principles, methods and applications (D. Kim Rossmo and Lorie Velarde).

6 Geographic profiling in an operational setting: the challenges and practical considerations, with reference to a series of sexual assaults in Bath, England (Clare Daniell).

7 The Hammer Gang: an exercise in the spatial analysis of an armed robbery series using the probability grid method (Chris Overall and Gregory Day).

8 'Rolling the Dice': the arrest of Roosevelt Erving in Lincoln, Nebraska (Tom Casady).

Part III Neighbourhood analysis.

9 The strategic allocation of resources to effectively implement Neighbourhood Policing and the Community Safety Plan (Alice O'Neill).

10 Priority neighbourhoods and the Vulnerable Localities Index in Wigan - a strategic partnership approach to crime reduction (Ian Bullen).

11 Reducing re-offending in local communities: geographical information system based strategic analysis of Greater Manchester's offenders (David Ottiwell).

Part IV Integrating visual audits and survey data into crime mapping.

12 Community Safety Mapping Online System: mapping reassurance using survey data (Steven Rose).

13 Mapping the fear of crime - a micro-approach in Merton, London (Chris Williams).

14 NightVision - visual auditing of night-time economy related incidents in Bath and North-East Somerset (Jon Poole).

Part V New techniques.

15 The near-repeat burglary phenomenon (Derek Johnson).

16 Simulating crime to inform theory and practice (Elizabeth Groff).

17 A crime mapping technique for assessing vulnerable targets for terrorism in local communities (Rachel Boba).

18 Interactive Offender Profiling System (IOPS) (David Canter and Donna Youngs).

Index.
Chapter 1: Electric charges and their properties.

Chapter 2: The Forces between Molecules.

Chapter 3: Balls on Springs.

Chapter 4: Molecular Mechanics (MM).

Chapter 5: The Molecular Potential Energy Surface (PES).

Chapter 6: Molecular Mechanics Examples.

Chapter 7: Sharing out the energy.

Chapter 8: Quick guide to Statistical Thermodynamics.

Chapter 9: Monte Carlo Simulations.

Chapter 10: Molecular Dynamics.

Chapter 11: Introduction to quantum modeling.

Chapter 12: Quantum Gases.

Chapter 13: One-electron atoms.

Chapter 14: The orbital model.

Chapter 15: Simple molecules..

Chapter 16: The HF-LCAO model.

Chapter17: HF-LCAO examples.

Chapter 18: Semiempirical models.

Chapter 19: Electron Correlation.

Chapter 20: Density functional theory and the Kohn-Sham LCAO equations.

Chapter 21: Accurate thermodynamic properties; the Gn models.

Chapter 22: Transition states.

Chapter 23: Dealing with the Solvent.

Chapter 24: Hybrid Models.

[...]ENList of contributors.

Preface.

Part I Developing crime mapping.

1 Developing geographical information systems and crime mapping tools in New Zealand (Andy Gilmour and Jill Barclay).

2 An analytical technique for addressing geographical referencing difficulties and monitoring crimes in Rio de Janeiro, Brazil (Ana Paula Mendes de Miranda and Marcus Ferreira).

3 Methods for implementing crime mapping within a large law enforcement agency: experiences from Victoria, Australia (Timothy Mashford).

4 Automating briefings for police officers (Tom Casady).

Part II Geographical investigative analysis.

5 Geographic profiling analysis: principles, methods and applications (D. Kim Rossmo and Lorie Velarde).

6 Geographic profiling in an operational setting: the challenges and practical considerations, with reference to a series of sexual assaults in Bath, England (Clare Daniell).

7 The Hammer Gang: an exercise in the spatial analysis of an armed robbery series using the probability grid method (Chris Overall and Gregory Day).

8 'Rolling the Dice': the arrest of Roosevelt Erving in Lincoln, Nebraska (Tom Casady).

Part III Neighbourhood analysis.

9 The strategic allocation of resources to effectively implement Neighbourhood Policing and the Community Safety Plan (Alice O'Neill).

10 Priority neighbourhoods and the Vulnerable Localities Index in Wigan - a strategic partnership approach to crime reduction (Ian Bullen).

11 Reducing re-offending in local communities: geographical information system based strategic analysis of Greater Manchester's offenders (David Ottiwell).

Part IV Integrating visual audits and survey data into crime mapping.

12 Community Safety Mapping Online System: mapping reassurance using survey data (Steven Rose).

13 Mapping the fear of crime - a micro-approach in Merton, London (Chris Williams).

14 NightVision - visual auditing of night-time economy related incidents in Bath and North-East Somerset (Jon Poole).

Part V New techniques.

15 The near-repeat burglary phenomenon (Derek Johnson).

16 Simulating crime to inform theory and practice (Elizabeth Groff).

17 A crime mapping technique for assessing vulnerable targets for terrorism in local communities (Rachel Boba).

18 Interactive Offender Profiling System (IOPS) (David Canter and Donna Youngs).

Index.
Details
Erscheinungsjahr: 2008
Medium: Taschenbuch
Inhalt: Chapter 1: Electric charges and their properties.Chapter 2: The Forces between Molecules.Chapter 3: Balls on Springs.Chapter 4: Molecular Mechanics (MM).Chapter 5: The Molecular Potential Energy Surface (PES).Chapter 6: Molecular Mechanics Examples.Chapt
ISBN-13: 9780470513149
ISBN-10: 0470513144
Sprache: Englisch
Einband: Kartoniert / Broschiert
Autor: Alan Hinchliffe
Auflage: 2. Auflage
Hersteller: John Wiley & Sons
Verantwortliche Person für die EU: preigu, Ansas Meyer, Lengericher Landstr. 19, D-49078 Osnabrück, mail@preigu.de
Abbildungen: w. figs.
Maße: 244 x 168 x 24 mm
Von/Mit: Alan Hinchliffe
Erscheinungsdatum: 20.10.2008
Gewicht: 0,722 kg
Artikel-ID: 129329856
Details
Erscheinungsjahr: 2008
Medium: Taschenbuch
Inhalt: Chapter 1: Electric charges and their properties.Chapter 2: The Forces between Molecules.Chapter 3: Balls on Springs.Chapter 4: Molecular Mechanics (MM).Chapter 5: The Molecular Potential Energy Surface (PES).Chapter 6: Molecular Mechanics Examples.Chapt
ISBN-13: 9780470513149
ISBN-10: 0470513144
Sprache: Englisch
Einband: Kartoniert / Broschiert
Autor: Alan Hinchliffe
Auflage: 2. Auflage
Hersteller: John Wiley & Sons
Verantwortliche Person für die EU: preigu, Ansas Meyer, Lengericher Landstr. 19, D-49078 Osnabrück, mail@preigu.de
Abbildungen: w. figs.
Maße: 244 x 168 x 24 mm
Von/Mit: Alan Hinchliffe
Erscheinungsdatum: 20.10.2008
Gewicht: 0,722 kg
Artikel-ID: 129329856
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