Molecular Modeling of Inorganic Compounds Book

Molecular Modeling of Inorganic Compounds, After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been, Molecular Modeling of Inorganic Compounds

3 out of 5 stars based on 2 reviews

Molecular Modeling of Inorganic Compounds
Written by author Peter Comba
Published by Wiley, John & Sons, Incorporated, October 2009
After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been
In many branches of chemistry, molecular modeling is a well-established and powerful tool for the investigation of complex structures. This book shows how the method has been and can be successfully applied to inorganic and coordination compounds.In th

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1 Introduction 1
2 Parameterization, Approximations and Limitations 10
3 Computation 40
4 The Multiple Minima Problem 48
5 Conclusions 53
6 Structural Aspects 60
7 Stereoselectivities 67
8 Metal Ion Selectivity 80
9 Spectroscopy 91
10 Electron Transfer 108
11 Electronic Effects 114
12 Bioinorganic Chemistry 123
13 Organometallics 131
14 Compounds with s, p and f Block Elements 141
15 Developing a Force Field 156
16 Carrying Out the Calculations 168
17 Interpreting and Using the Results 173
Appendices 179
Glossary 180
Fundamental Constants, Units and Conversion Factors 186
Software and Force Fields 188
Subject Index 193

Title: Molecular Modeling of Inorganic Compounds

Manufacturer:

Wiley

Item Number: 9783527317998

Publication Date: October 2009

Number: 2

Product Description: Molecular Modeling of Inorganic Compounds

Universal Product Code (UPC): 9783527317998

WonderClub Stock Keeping Unit (WSKU): 9783527317998

Rating: 3/5 based on 2 Reviews

Image Location: https://wonderclub.com/images/covers/79/98/9783527317998.jpg

Category: Media >> Books

Weight: 0.200 kg (0.44 lbs)

Width: 6.900 cm (2.72 inches)

Heigh : 9.600 cm (3.78 inches)

Depth: 0.900 cm (0.35 inches)

Date Added: August 25, 2020, Added By: Ross

Date Last Edited: August 25, 2020, Edited By: Ross

Price	Condition	Delivery	Seller	Action
$180.78	Digital	Arrives between May 9 - Jun 8 Login to your account for a direct download. Some files are emailed from Dropbox. Continent $0.00 - World $0.00	WonderClub (9296 total ratings)

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Michele Charlap

reviewed Molecular Modeling of Inorganic Compounds on August 13, 2009

Molecular Modeling of Inorganic Compounds

Although this book covers almost all topics from molecular modelling, and has some insides to physics and math along with simple calculation examples I wouldn't recommend it to a beginner. Despite of easy language and seemingly all necessary material, the book doesn't give deep understanding. Topics and examples are placed quite chaotically and not consequently.

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Molecular Modeling of Inorganic Compounds, After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been, Molecular Modeling of Inorganic Compounds

Add Molecular Modeling of Inorganic Compounds, After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been, Molecular Modeling of Inorganic Compounds to the inventory that you are selling on WonderClub

Add Molecular Modeling of Inorganic Compounds, After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been, Molecular Modeling of Inorganic Compounds to your collection on WonderClub

Molecular Modeling of Inorganic Compounds Book

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1	Introduction	1
2	Parameterization, Approximations and Limitations	10
3	Computation	40
4	The Multiple Minima Problem	48
5	Conclusions	53
6	Structural Aspects	60
7	Stereoselectivities	67
8	Metal Ion Selectivity	80
9	Spectroscopy	91
10	Electron Transfer	108
11	Electronic Effects	114
12	Bioinorganic Chemistry	123
13	Organometallics	131
14	Compounds with s, p and f Block Elements	141
15	Developing a Force Field	156
16	Carrying Out the Calculations	168
17	Interpreting and Using the Results	173
	Appendices	179
	Glossary	180
	Fundamental Constants, Units and Conversion Factors	186
	Software and Force Fields	188
	Subject Index	193