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Biblioteca

MARC Lista (tabellare)
Chemical modelling / / editors, J.-O. Joswig, Technische Universität Dresden, Dresden, Germany, M. Springborg, University of Saarland, Saarbrücken, Germany ; authors, Benjamin Fiedler, Technische Universität Chemnitz, Germany [and fourteen others]
Chemical modelling / / editors, J.-O. Joswig, Technische Universität Dresden, Dresden, Germany, M. Springborg, University of Saarland, Saarbrücken, Germany ; authors, Benjamin Fiedler, Technische Universität Chemnitz, Germany [and fourteen others]
Autore Fiedler Benjamin
Pubbl/distr/stampa Cambridge : , : Royal Society of Chemistry, , [2017]
Descrizione fisica 1 online resource (293 pages) : illustrations
Disciplina 541.22015118
Collana A specialist periodical report
Soggetto topico Chemical models
ISBN 1-78262-686-7
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910156198903321
Fiedler Benjamin  
Cambridge : , : Royal Society of Chemistry, , [2017]
Materiale a stampa
Lo trovi qui: Univ. Federico II
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International journal of chemical modeling
International journal of chemical modeling
Pubbl/distr/stampa Hauppauge, NY : , : Nova Science Publishers, , 2008-
Disciplina 541.22
Soggetto topico Chemical models
Soggetto genere / forma Periodicals.
ISSN 2374-0809
Formato Materiale a stampa
Livello bibliografico Periodico
Lingua di pubblicazione eng
Record Nr. UNISA-996336317003316
Hauppauge, NY : , : Nova Science Publishers, , 2008-
Materiale a stampa
Lo trovi qui: Univ. di Salerno
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Journal of computational chemistry
Journal of computational chemistry
Pubbl/distr/stampa New York, NY, : John Wiley & Sons
Descrizione fisica 1 online resource
Disciplina 542
Soggetto topico Chemistry - Data processing
Chemical models
Chemistry - methods
Computer Simulation
Models, Chemical
Chimio-informatique
Simulation par ordinateur
Modèles chimiques
simulation
Chemistry
Biology
Chemie
Datenverarbeitung
Zeitschrift
Online-Ressource
Computational chemistry
Soggetto genere / forma Fulltext
Internet Resources.
Periodicals.
ISSN 1096-987X
Formato Materiale a stampa
Livello bibliografico Periodico
Lingua di pubblicazione eng
Record Nr. UNINA-9910146513103321
New York, NY, : John Wiley & Sons
Materiale a stampa
Lo trovi qui: Univ. Federico II
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Molecular modeling [[electronic resource] ] : basic principles and applications / / by Hans-Dieter Höltje and Gerd Folkers in collaboration with Thomas Beier, Wolfgang Sippl and Didier Rognan
Molecular modeling [[electronic resource] ] : basic principles and applications / / by Hans-Dieter Höltje and Gerd Folkers in collaboration with Thomas Beier, Wolfgang Sippl and Didier Rognan
Autore Höltje Hans-Dieter
Pubbl/distr/stampa Weinheim ; ; New York, : VCH, c1997
Descrizione fisica 1 online resource (209 p.)
Disciplina 542.22011
572/.33/0113
Altri autori (Persone) FolkersGerd
Collana Methods and principles in medicinal chemistry
Soggetto topico Chemical models
Molecules - Computer simulation
Molecules - Models
Soggetto genere / forma Electronic books.
ISBN 1-281-75846-9
9786611758462
3-527-61477-X
3-527-61476-1
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Molecular Modeling; Preface; A Personal Foreword; Contents; 1 Introduction; 1.1 Modern History of Molecular Modeling; 1.2 Do Today's Molecular Modeling Methods Illustrate only the Lukretian World?; 1.3 What are Models Used for?; 1.4 Molecular Modeling Uses All FourTypes for Model Building; 1.5 The Final Step is Design; 1.6 The Scope of the Book; 2 Small Molecules; 2.1 Generation of 3D Coordinates; 2.1.1 Crystal Data; 2.1.2 Fragment Libraries; 2.1.3 Sketch Approach; 2.2 Computational Tools for Geometry Optimization; 2.2.1 Force Fields; 2.2.2 Geometry Optimization
2.2.3 Energy-Minimizing Procedures2.2.3.1 Steepest Descent Minimizer; 2.2.3.2 Conjugate Gradient Method; 2.2.3.3 Newton-Raphson Minimizer; 2.2.4 Use of Charges, Solvation Effects; 2.2.5 Quantum Mechanical Methods; 2.2.5.1 Ab initio Methods; 2.2.5.2 Semiempirical Molecular Orbital Methods; 2.3 Conformational Analysis; 2.3.1 Conformational Analysis Using Systematic Search Procedures; 2.3.2 Conformational Analysis Using Monte Carlo Methods; 2.3.3 Conformational Analysis Using Molecular Dynamics; 2.4 Determination of Molecular Interaction Potentials
2.4.1 Molecular Electrostatic Potentials (MEPs)2.4.1.1 Methods for Calculating Atomic Point Charges; 2.4.1.2 Methods for Generating MEPs; 2.4.2 Molecular Interaction Fields; 2.4.2.1 Calculation of GRID Fields; 2.4.2.2 How GRID Fields can be Exploited; 2.4.2.3 Use of Chemometrics:The CoMFA Method; 2.4.3 Hydrophobic Interactions; 2.4.3.1 Log P as a Measure of Lipophilicity; 2.4.3.2 The Hydropathic Field; 2.4.3.3 Display of Properties on a Molecular Surface; 2.5 Pharmacophore Identification; 2.5.1 Molecules to be Matched; 2.5.2 Atom-by-Atom Superposition; 2.5.3 Superposition of Molecular Fields
2.6 The Use of Data Bants2.6.1 Conversion of 2D Structural Data into 3D Form; 2.6.2 3D Searching; 3 Example for Small Molecule Modeling: Serotonin Receptor Ligands; 3.1 Definition of the Serotoninergic Pharmacophore; 3.2 The Molecular Interaction Field; 3.3 Construction of a 5-HT 2a Receptor Binding Site Model; 3.4 Calculation of Interaction Energies; 3.5 Validation of the Model; 4 Introduction to Protein Modeling; 4.1 Where and How to get Information on Proteins; 4.2 Terminology and Principles of Protein Structure; 4.2.1 Conformational Properties of Proteins
4.2.2 Types of Secondary Structural Elements4.2.2.1 The α-Helix; 4.2.2.2 The β-Sheet; 4.2.2.3 Turns; 4.2.3 Homologous Proteins; 4.3 Knowledge-Based Protein Modeling; 4.3.1 Procedures for Sequence Alignments; 4.3.2 Determination and Generation of Structurally Conserved Regions (SCRs); 4.3.3 Construction of Structurally Variable Regions (SVRs); 4.3.4 Side Chain Modeling; 4.3.5 Distance Geometry Approach; 4.3.6 Secondary Structure Prediction; 4.3.7 Energy-Based Modeling Methods; 4.4 Optimization Procedures - Model Refinement - Molecular Dynamics; 4.4.1 Force Fields for Protein Modeling
4.4.2 Geometry Optimization
Record Nr. UNINA-9910144132803321
Höltje Hans-Dieter  
Weinheim ; ; New York, : VCH, c1997
Materiale a stampa
Lo trovi qui: Univ. Federico II
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Molecular Modeling of Inorganic Compounds [[electronic resource]]
Molecular Modeling of Inorganic Compounds [[electronic resource]]
Autore Comba Peter
Edizione [3rd ed.]
Pubbl/distr/stampa Hoboken, : Wiley, 2009
Descrizione fisica 1 online resource (346 p.)
Disciplina 541.22015118
Altri autori (Persone) HambleyTrevor W
MartinBodo
Soggetto topico Chemical models
Inorganic compounds --Mathematical models
Inorganic compounds - Mathematical models
Chemistry
Physical & Theoretical Chemistry
Physical Sciences & Mathematics
ISBN 1-282-68809-X
9786612688096
3-527-62812-6
3-527-62813-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Molecular Modeling of Inorganic Compounds; Contents; Preface to the Third Edition; Preface to the Second Edition; Preface to the First Edition; Part I: Theory; 1 Introduction; 1.1 Molecular Modeling; 1.2 Historical Background; 2 Molecular Modeling Methods in Brief; 2.1 Molecular Mechanics; 2.2 Quantum Mechanics; 2.2.1 Hartree-Fock Calculations; 2.2.2 Semi-Empirical Approaches; 2.2.3 Density Functional Theory; 2.2.4 Methods and Basis Sets; 2.3 Other Methods; 2.3.1 Conformational Searching; 2.3.1.1 Stochastic Methods; 2.3.1.2 Molecular Dynamics; 2.3.2 Database Searching; 2.3.3 Cluster Analysis
2.3.4 Free Energy Perturbation2.3.5 QSAR; 3 Parameterization, Approximations and Limitations of Molecular Mechanics; 3.1 Concepts; 3.2 Potential Energy Functions; 3.2.1 Bond Length Deformation; 3.2.2 Valence Angle Deformation; 3.2.3 Torsion Angle Deformation; 3.2.4 Cross-Terms; 3.2.5 van der Waals Interactions; 3.2.6 Electrostatic Interactions; 3.2.7 Hydrogen Bonding Interactions; 3.2.8 Out-of-Plane Deformation; 3.3 Force-Field Parameters; 3.3.1 Bond Length Deformation; 3.3.2 Valence Angle Deformation; 3.3.3 Torsion Angle Deformation; 3.3.4 Out-of-Plane Deformation
3.3.5 Non-Bonded Interactions3.3.6 Electrostatic Interactions; 3.3.7 Hydrogen-Bonding Interactions; 3.4 Spectroscopic Force Fields; 3.5 Model and Reality; 3.6 Electronic Effects; 3.7 The Environment; 3.8 Entropy Effects; 3.9 Summary; 4 Computation; 4.1 Input and Output; 4.2 Energy Minimization; 4.2.1 The Simplex Method; 4.2.2 Gradient Methods; 4.2.3 Conjugate-Gradient Methods; 4.2.4 The Newton-Raphson Method; 4.2.5 Least-Squares Methods; 4.3 Constraints and Restraints; 5 The Multiple Minima Problem; 5.1 Deterministic Methods; 5.2 Stochastic Methods; 5.3 Molecular Dynamics
5.4 Practical Considerations5.5 Making Use of Experimental Data; 6 Conclusions; Part II: Applications; 7 Structural Aspects; 7.1 Accuracy of Structure Prediction; 7.2 Molecular Visualization; 7.3 Isomer Analysis; 7.4 Analysis of Structural Trends; 7.5 Prediction of Complex Polymerization; 7.6 Unraveling Crystallographic Disorder; 7.7 Enhanced Structure Determination; 7.8 Comparison with Solution Properties; 8 Stereoselectivities; 8.1 Conformational Analysis; 8.2 Enantioselectivities; 8.2.1 Racemate Separation; 8.2.2 Stereoselective Synthesis; 8.2.3 Prediction of Enantioinduction
8.3 Structure Evaluation8.4 Mechanistic Information; 9 Metal Ion Selectivity; 9.1 Chelate Ring Size; 9.2 Macrocycle Hole Size; 9.3 Preorganization; 9.4 Quantitative Correlations Between Strain and Stability Differences; 9.5 Conclusions; 10 Spectroscopy; 10.1 Vibrational Spectroscopy; 10.2 Electronic Spectroscopy; 10.3 EPR Spectroscopy; 10.4 NMR Spectroscopy; 10.5 QM-Based Methods; 11 Electron Transfer; 11.1 Redox Potentials; 11.2 Electron-Transfer Rates; 12 Electronic Effects; 12.1 d-Orbital Directionality; 12.2 The trans Influence; 12.3 Jahn-Teller Distortions; 13 Bioinorganic Chemistry
13.1 Complexes of Amino Acids and Peptides
Record Nr. UNINA-9910139751803321
Comba Peter  
Hoboken, : Wiley, 2009
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Molecular Modeling of Inorganic Compounds [[electronic resource]]
Molecular Modeling of Inorganic Compounds [[electronic resource]]
Autore Comba Peter
Edizione [3rd ed.]
Pubbl/distr/stampa Hoboken, : Wiley, 2009
Descrizione fisica 1 online resource (346 p.)
Disciplina 541.22015118
Altri autori (Persone) HambleyTrevor W
MartinBodo
Soggetto topico Chemical models
Inorganic compounds --Mathematical models
Inorganic compounds - Mathematical models
Chemistry
Physical & Theoretical Chemistry
Physical Sciences & Mathematics
ISBN 1-282-68809-X
9786612688096
3-527-62812-6
3-527-62813-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Molecular Modeling of Inorganic Compounds; Contents; Preface to the Third Edition; Preface to the Second Edition; Preface to the First Edition; Part I: Theory; 1 Introduction; 1.1 Molecular Modeling; 1.2 Historical Background; 2 Molecular Modeling Methods in Brief; 2.1 Molecular Mechanics; 2.2 Quantum Mechanics; 2.2.1 Hartree-Fock Calculations; 2.2.2 Semi-Empirical Approaches; 2.2.3 Density Functional Theory; 2.2.4 Methods and Basis Sets; 2.3 Other Methods; 2.3.1 Conformational Searching; 2.3.1.1 Stochastic Methods; 2.3.1.2 Molecular Dynamics; 2.3.2 Database Searching; 2.3.3 Cluster Analysis
2.3.4 Free Energy Perturbation2.3.5 QSAR; 3 Parameterization, Approximations and Limitations of Molecular Mechanics; 3.1 Concepts; 3.2 Potential Energy Functions; 3.2.1 Bond Length Deformation; 3.2.2 Valence Angle Deformation; 3.2.3 Torsion Angle Deformation; 3.2.4 Cross-Terms; 3.2.5 van der Waals Interactions; 3.2.6 Electrostatic Interactions; 3.2.7 Hydrogen Bonding Interactions; 3.2.8 Out-of-Plane Deformation; 3.3 Force-Field Parameters; 3.3.1 Bond Length Deformation; 3.3.2 Valence Angle Deformation; 3.3.3 Torsion Angle Deformation; 3.3.4 Out-of-Plane Deformation
3.3.5 Non-Bonded Interactions3.3.6 Electrostatic Interactions; 3.3.7 Hydrogen-Bonding Interactions; 3.4 Spectroscopic Force Fields; 3.5 Model and Reality; 3.6 Electronic Effects; 3.7 The Environment; 3.8 Entropy Effects; 3.9 Summary; 4 Computation; 4.1 Input and Output; 4.2 Energy Minimization; 4.2.1 The Simplex Method; 4.2.2 Gradient Methods; 4.2.3 Conjugate-Gradient Methods; 4.2.4 The Newton-Raphson Method; 4.2.5 Least-Squares Methods; 4.3 Constraints and Restraints; 5 The Multiple Minima Problem; 5.1 Deterministic Methods; 5.2 Stochastic Methods; 5.3 Molecular Dynamics
5.4 Practical Considerations5.5 Making Use of Experimental Data; 6 Conclusions; Part II: Applications; 7 Structural Aspects; 7.1 Accuracy of Structure Prediction; 7.2 Molecular Visualization; 7.3 Isomer Analysis; 7.4 Analysis of Structural Trends; 7.5 Prediction of Complex Polymerization; 7.6 Unraveling Crystallographic Disorder; 7.7 Enhanced Structure Determination; 7.8 Comparison with Solution Properties; 8 Stereoselectivities; 8.1 Conformational Analysis; 8.2 Enantioselectivities; 8.2.1 Racemate Separation; 8.2.2 Stereoselective Synthesis; 8.2.3 Prediction of Enantioinduction
8.3 Structure Evaluation8.4 Mechanistic Information; 9 Metal Ion Selectivity; 9.1 Chelate Ring Size; 9.2 Macrocycle Hole Size; 9.3 Preorganization; 9.4 Quantitative Correlations Between Strain and Stability Differences; 9.5 Conclusions; 10 Spectroscopy; 10.1 Vibrational Spectroscopy; 10.2 Electronic Spectroscopy; 10.3 EPR Spectroscopy; 10.4 NMR Spectroscopy; 10.5 QM-Based Methods; 11 Electron Transfer; 11.1 Redox Potentials; 11.2 Electron-Transfer Rates; 12 Electronic Effects; 12.1 d-Orbital Directionality; 12.2 The trans Influence; 12.3 Jahn-Teller Distortions; 13 Bioinorganic Chemistry
13.1 Complexes of Amino Acids and Peptides
Record Nr. UNINA-9910830921903321
Comba Peter  
Hoboken, : Wiley, 2009
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Molecular modeling of inorganic compounds / / Peter Comba, Trevor W. Hambley
Molecular modeling of inorganic compounds / / Peter Comba, Trevor W. Hambley
Autore Comba Peter
Edizione [2nd, completely rev. and enl. ed.]
Pubbl/distr/stampa Weinheim ; ; New York, : Wiley-VCH, c2001
Descrizione fisica 1 online resource (346 p.)
Disciplina 541.22015118
Altri autori (Persone) HambleyTrevor W
Soggetto topico Inorganic compounds - Mathematical models
Chemical models
ISBN 9786612688096
9781282688094
128268809X
9783527628124
3527628126
9783527628131
3527628134
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Molecular Modeling of Inorganic Compounds; Contents; Preface to the Third Edition; Preface to the Second Edition; Preface to the First Edition; Part I: Theory; 1 Introduction; 1.1 Molecular Modeling; 1.2 Historical Background; 2 Molecular Modeling Methods in Brief; 2.1 Molecular Mechanics; 2.2 Quantum Mechanics; 2.2.1 Hartree-Fock Calculations; 2.2.2 Semi-Empirical Approaches; 2.2.3 Density Functional Theory; 2.2.4 Methods and Basis Sets; 2.3 Other Methods; 2.3.1 Conformational Searching; 2.3.1.1 Stochastic Methods; 2.3.1.2 Molecular Dynamics; 2.3.2 Database Searching; 2.3.3 Cluster Analysis
2.3.4 Free Energy Perturbation2.3.5 QSAR; 3 Parameterization, Approximations and Limitations of Molecular Mechanics; 3.1 Concepts; 3.2 Potential Energy Functions; 3.2.1 Bond Length Deformation; 3.2.2 Valence Angle Deformation; 3.2.3 Torsion Angle Deformation; 3.2.4 Cross-Terms; 3.2.5 van der Waals Interactions; 3.2.6 Electrostatic Interactions; 3.2.7 Hydrogen Bonding Interactions; 3.2.8 Out-of-Plane Deformation; 3.3 Force-Field Parameters; 3.3.1 Bond Length Deformation; 3.3.2 Valence Angle Deformation; 3.3.3 Torsion Angle Deformation; 3.3.4 Out-of-Plane Deformation
3.3.5 Non-Bonded Interactions3.3.6 Electrostatic Interactions; 3.3.7 Hydrogen-Bonding Interactions; 3.4 Spectroscopic Force Fields; 3.5 Model and Reality; 3.6 Electronic Effects; 3.7 The Environment; 3.8 Entropy Effects; 3.9 Summary; 4 Computation; 4.1 Input and Output; 4.2 Energy Minimization; 4.2.1 The Simplex Method; 4.2.2 Gradient Methods; 4.2.3 Conjugate-Gradient Methods; 4.2.4 The Newton-Raphson Method; 4.2.5 Least-Squares Methods; 4.3 Constraints and Restraints; 5 The Multiple Minima Problem; 5.1 Deterministic Methods; 5.2 Stochastic Methods; 5.3 Molecular Dynamics
5.4 Practical Considerations5.5 Making Use of Experimental Data; 6 Conclusions; Part II: Applications; 7 Structural Aspects; 7.1 Accuracy of Structure Prediction; 7.2 Molecular Visualization; 7.3 Isomer Analysis; 7.4 Analysis of Structural Trends; 7.5 Prediction of Complex Polymerization; 7.6 Unraveling Crystallographic Disorder; 7.7 Enhanced Structure Determination; 7.8 Comparison with Solution Properties; 8 Stereoselectivities; 8.1 Conformational Analysis; 8.2 Enantioselectivities; 8.2.1 Racemate Separation; 8.2.2 Stereoselective Synthesis; 8.2.3 Prediction of Enantioinduction
8.3 Structure Evaluation8.4 Mechanistic Information; 9 Metal Ion Selectivity; 9.1 Chelate Ring Size; 9.2 Macrocycle Hole Size; 9.3 Preorganization; 9.4 Quantitative Correlations Between Strain and Stability Differences; 9.5 Conclusions; 10 Spectroscopy; 10.1 Vibrational Spectroscopy; 10.2 Electronic Spectroscopy; 10.3 EPR Spectroscopy; 10.4 NMR Spectroscopy; 10.5 QM-Based Methods; 11 Electron Transfer; 11.1 Redox Potentials; 11.2 Electron-Transfer Rates; 12 Electronic Effects; 12.1 d-Orbital Directionality; 12.2 The trans Influence; 12.3 Jahn-Teller Distortions; 13 Bioinorganic Chemistry
13.1 Complexes of Amino Acids and Peptides
Record Nr. UNINA-9911020143503321
Comba Peter  
Weinheim ; ; New York, : Wiley-VCH, c2001
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Molecular modeling of inorganic compounds / Peter Comba, Trevor W. Hambley
Molecular modeling of inorganic compounds / Peter Comba, Trevor W. Hambley
Autore Comba, Peter
Edizione [2nd ed.]
Pubbl/distr/stampa Weinheim ; New York : Wiley-VCH, c2001
Descrizione fisica xiii, 324 p. : ill. ; 25 cm. + 1 computer optical disc (4 3/4 in.)
Disciplina 541.223
Altri autori (Persone) Hambley, Trevor W.
Soggetto topico Inorganic compounds - Mathematical models
Chemical models
ISBN 3527299157
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNISALENTO-991000776009707536
Comba, Peter  
Weinheim ; New York : Wiley-VCH, c2001
Materiale a stampa
Lo trovi qui: Univ. del Salento
Opac: Controlla la disponibilità qui
A review of the literature published between June 1999 and May 2001 [[electronic resource] ] : applications and theory / / senior reporter, A. Hinchliffe ; reporters, D Babić ... [et al.]
A review of the literature published between June 1999 and May 2001 [[electronic resource] ] : applications and theory / / senior reporter, A. Hinchliffe ; reporters, D Babić ... [et al.]
Pubbl/distr/stampa Cambridge, : Royal Society of Chemistry, 2002
Descrizione fisica 1 online resource (464 p.)
Disciplina 541.22015118
Altri autori (Persone) HinchliffeAlan
Collana Specialist periodical reports: chemical modelling
Soggetto topico Molecules - Models
Chemical models
Soggetto genere / forma Electronic books.
ISBN 1-84755-332-X
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto CM9780854042593-FX001; HINCHLIF; mke1; mke2; mke3; mke4; mke5; mke6; mke7; mke8; mke9; mke10; mke11; mke12; mke13; mke14; mke15; mke16; mke17; mke18; mke19; mke20; mke21; mke22; mke23; mke25; mke26; mke27; mke28; mke29; mke30; mke31; mke32; mke33; mke34; mke35; mke36; mke37; mke38; mke39; mke40; mke41; mke42; mke43; mke44; mke45; mke46; mke47; mke48; mke49; mke50; mke51; mke52; mke53; mke54; mke55; mke56; mke57; mke58; mke59; mke60; mke61; mke62; mke63; mke64; mke65; mke66; mke70; mke1; mke2; mke3; mke4; mke5; mke6; mke7; mke8; mke10; mke11; mke12; mke13; mke14; mke15; mke16; mke17; mke18
mke1mke3; mke5; mke6; mke7; mke8; mke9; mke10; mke12; mke13; mke14; mke15; mke16; mke17; mke18; mke19; mke20; mke21; mke22; mke23; mke25; mke26; mke27; mke29; mke30; mke32; mke33; mke34; mke35; mke36; mke37; mke38; mke39; mke41; mke42; mke44; mke45; mke46; mke47; mke48; mke49; mke50; mke51; mke53; mke54; mke55; mke56; mke57; mke58; mke59; mke62; mke63; mke64; mke66; mke70; mke1; mke2; mke3; mke4; mke5; mke6; mke7; mke8; mke9; mke11; mke12; mke13; mke14; mke15; mke16; mke17; mke19; mke20; mke21; mke22; mke25; mke26; mke27; mke28; mke29; mke30; mke38; mke39; mke40; mke43; mke46; mke49; mke52
mke53mke54; mke55; mke58; mke59; mke60; mke61; mke62; mke63; mke64; mke66; mke70; mke1; mke4; mke5; mke6; mke7; mke8; mke9; mke10; mke11; mke14; mke1; mke2; mke3; mke4; mke5; mke6; mke7; mke8; mke9; mke10; mke14; mke15; mke16; mke17; mke18; mke19; mke20; mke21; mke23; mke25; mke26; mke27; mke28; mke29; mke32; mke33; mke35; mke36; mke37; mke38; mke39; mke40; mke41; mke42; mke43; mke44; mke45; mke46; mke47; mke48; mke49; mke50; mke55; mke56; mke57; mke58; mke59; mke60; mke61; mke62; mke63; mke65; mke66; mke70; mkf1; mkf1; mkf1; mkf1; mkf1; mkf1; mkf2; mkf2; mkf2; mkf2; mkf2; mkf3; mkf3; mkf3
mkf3mkf3; mkf4; mkf4; mkf4; mkf4; mkf5; mkf5; mkf5; mkf5; mkf6; mkf6; mkf6; mkf6; mkf7; mkf7; mkf7; mkf7; mkf8; mkf8; mkf8; mkf8; mkf9; mkf9; mkf9; mkf9; mkf10; mkf10; mkf10; mkf10; mkf10; mkf11; mkf11; mkf11; mkf11; mkf12; mkf12; mkf12; mkf13; mkf13; mkf13; mkr1; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13; mkr14; mkr15; mkr16; mkr17; mkr18; mkr19; mkr20; mkr21; mkr22; mkr23; mkr24; mkr25; mkr26; mkr27; mkr28; mkr29; mkr30; mkr31; mkr31; mkr1; mkr2; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13; mkr14; mkr15; mkr16; mkr17; mkr18
mkr19mkr20; mkr21; mkr22; mkr23; mkr24; mkr25; mkr26; mkr27; mkr28; mkr29; mkr30; mkr31; mkr1; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13; mkr14; mkr14; mkr15; mkr16; mkr17; mkr18; mkr19; mkr20; mkr21; mkr22; mkr23; mkr24; mkr25; mkr26; mkr27; mkr28; mkr29; mkr30; mkr31; mkr1; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13; mkr14; mkr15; mkr16; mkr17; mkr18; mkr19; mkr20; mkr21; mkr22; mkr23; mkr24; mkr25; mkr26; mkr27; mkr28; mkr29; mkr30; mkr30; mkr31; mkr1; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13
mkr14
Record Nr. UNINA-9910449814703321
Cambridge, : Royal Society of Chemistry, 2002
Materiale a stampa
Lo trovi qui: Univ. Federico II
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A review of the literature published between June 1999 and May 2001 [[electronic resource] ] : applications and theory / / senior reporter, A. Hinchliffe ; reporters, D Babić ... [et al.]
A review of the literature published between June 1999 and May 2001 [[electronic resource] ] : applications and theory / / senior reporter, A. Hinchliffe ; reporters, D Babić ... [et al.]
Pubbl/distr/stampa Cambridge, : Royal Society of Chemistry, 2002
Descrizione fisica 1 online resource (464 p.)
Disciplina 541.22015118
Altri autori (Persone) HinchliffeAlan
Collana Specialist periodical reports: chemical modelling
Soggetto topico Molecules - Models
Chemical models
ISBN 1-84755-332-X
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto CM9780854042593-FX001; HINCHLIF; mke1; mke2; mke3; mke4; mke5; mke6; mke7; mke8; mke9; mke10; mke11; mke12; mke13; mke14; mke15; mke16; mke17; mke18; mke19; mke20; mke21; mke22; mke23; mke25; mke26; mke27; mke28; mke29; mke30; mke31; mke32; mke33; mke34; mke35; mke36; mke37; mke38; mke39; mke40; mke41; mke42; mke43; mke44; mke45; mke46; mke47; mke48; mke49; mke50; mke51; mke52; mke53; mke54; mke55; mke56; mke57; mke58; mke59; mke60; mke61; mke62; mke63; mke64; mke65; mke66; mke70; mke1; mke2; mke3; mke4; mke5; mke6; mke7; mke8; mke10; mke11; mke12; mke13; mke14; mke15; mke16; mke17; mke18
mke1mke3; mke5; mke6; mke7; mke8; mke9; mke10; mke12; mke13; mke14; mke15; mke16; mke17; mke18; mke19; mke20; mke21; mke22; mke23; mke25; mke26; mke27; mke29; mke30; mke32; mke33; mke34; mke35; mke36; mke37; mke38; mke39; mke41; mke42; mke44; mke45; mke46; mke47; mke48; mke49; mke50; mke51; mke53; mke54; mke55; mke56; mke57; mke58; mke59; mke62; mke63; mke64; mke66; mke70; mke1; mke2; mke3; mke4; mke5; mke6; mke7; mke8; mke9; mke11; mke12; mke13; mke14; mke15; mke16; mke17; mke19; mke20; mke21; mke22; mke25; mke26; mke27; mke28; mke29; mke30; mke38; mke39; mke40; mke43; mke46; mke49; mke52
mke53mke54; mke55; mke58; mke59; mke60; mke61; mke62; mke63; mke64; mke66; mke70; mke1; mke4; mke5; mke6; mke7; mke8; mke9; mke10; mke11; mke14; mke1; mke2; mke3; mke4; mke5; mke6; mke7; mke8; mke9; mke10; mke14; mke15; mke16; mke17; mke18; mke19; mke20; mke21; mke23; mke25; mke26; mke27; mke28; mke29; mke32; mke33; mke35; mke36; mke37; mke38; mke39; mke40; mke41; mke42; mke43; mke44; mke45; mke46; mke47; mke48; mke49; mke50; mke55; mke56; mke57; mke58; mke59; mke60; mke61; mke62; mke63; mke65; mke66; mke70; mkf1; mkf1; mkf1; mkf1; mkf1; mkf1; mkf2; mkf2; mkf2; mkf2; mkf2; mkf3; mkf3; mkf3
mkf3mkf3; mkf4; mkf4; mkf4; mkf4; mkf5; mkf5; mkf5; mkf5; mkf6; mkf6; mkf6; mkf6; mkf7; mkf7; mkf7; mkf7; mkf8; mkf8; mkf8; mkf8; mkf9; mkf9; mkf9; mkf9; mkf10; mkf10; mkf10; mkf10; mkf10; mkf11; mkf11; mkf11; mkf11; mkf12; mkf12; mkf12; mkf13; mkf13; mkf13; mkr1; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13; mkr14; mkr15; mkr16; mkr17; mkr18; mkr19; mkr20; mkr21; mkr22; mkr23; mkr24; mkr25; mkr26; mkr27; mkr28; mkr29; mkr30; mkr31; mkr31; mkr1; mkr2; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13; mkr14; mkr15; mkr16; mkr17; mkr18
mkr19mkr20; mkr21; mkr22; mkr23; mkr24; mkr25; mkr26; mkr27; mkr28; mkr29; mkr30; mkr31; mkr1; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13; mkr14; mkr14; mkr15; mkr16; mkr17; mkr18; mkr19; mkr20; mkr21; mkr22; mkr23; mkr24; mkr25; mkr26; mkr27; mkr28; mkr29; mkr30; mkr31; mkr1; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13; mkr14; mkr15; mkr16; mkr17; mkr18; mkr19; mkr20; mkr21; mkr22; mkr23; mkr24; mkr25; mkr26; mkr27; mkr28; mkr29; mkr30; mkr30; mkr31; mkr1; mkr2; mkr3; mkr4; mkr5; mkr6; mkr7; mkr8; mkr9; mkr10; mkr11; mkr12; mkr13
mkr14
Record Nr. UNINA-9910777077503321
Cambridge, : Royal Society of Chemistry, 2002
Materiale a stampa
Lo trovi qui: Univ. Federico II
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