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Semiempirical Methods of Electronic Structure Calculation
Gerald . Ed(S): Segal
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Description for Semiempirical Methods of Electronic Structure Calculation
Paperback. Editor(s): Segal, Gerald. Series: Modern Theoretical Chemistry. Num Pages: 308 pages, biography. BIC Classification: PNR. Category: (P) Professional & Vocational. Dimension: 244 x 170 x 18. Weight in Grams: 574.
If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees of freedom, and molecules containing the higher elements ... Read more
If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees of freedom, and molecules containing the higher elements ... Read more
Product Details
Format
Paperback
Publication date
2012
Publisher
Springer-Verlag New York Inc. United States
Number of pages
308
Condition
New
Series
Modern Theoretical Chemistry
Number of Pages
308
Place of Publication
New York, NY, United States
ISBN
9781468425611
SKU
V9781468425611
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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