Encyclopedia of computational chemistry

Paul von Ragu? Schleyer9780471965886, 047196588X

In its short (30 year) history, computational chemistry has become one of the mainstays of modern industrial and academic chemistry. Computer methods are used to solve chemical problems that would be intractable or even impossible via experimental methods. Today, computer chemistry is acknowledged to be a major subdivision of chemistry, e.g. in drug design, molecular models can be simulated to predict which are the active compounds and how they will “fit” the receptors in the brain in order to make them effective. The Encyclopedia of Computational Chemistry (ECC) provides the most modern, complete and authoritative reference work on the subject.
“The Encyclopedia of Computational Chemistry represents the most comprehensive effort yet to cover the field of computational chemistry in its full breadth. This effort has been successful in most points and the ECC is thus a must-have for all chemistry libraries”. ANGEWANTE CHEMIE Includes 500 complex illustrations in full color Provides thorough cross referencing and Definition Entries (one paragraph dictionary articles) Reference list contains not only traditional material, but also FTP and HTTP sites and similar entries to electronic sources Contributions from more than 300 leading computational chemists The innovation continues…

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Table of contents :
Front matter vol.1……Page 1
Contents – all volumes……Page 19
A p.1-87……Page 26
B p.88-154……Page 113
C p.155-649……Page 180
D p.650-812……Page 675
E p.813-982……Page 838
F p.983-1103……Page 1008
G p.1104-1216……Page 1129
H p.1217-1298……Page 1242
I p.1299-1455……Page 1324
JKL p.1456-1519……Page 1481
M p.1521-1791……Page 1545
N p.1792-1947……Page 1816
O p.1948-1989……Page 1972
P p.1990-2300……Page 2014
Q p.2301-2350……Page 2325
R p.2351-2541……Page 2375
S p.2542-2950……Page 2566
T p.2951-3129……Page 2975
UV p.3130-3182……Page 3154
W p.3183-3222……Page 3207
X p.3223-3247……Page 3247
Z p.3248-3265……Page 3272
Software packages p.3267……Page 3290
Contributors p.3349……Page 3371
Index – all volumes p.3375……Page 3396