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Computational Materials Chemistry
. Ed(S): Curtiss, L.A.; Gordon, M.S.
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Description for Computational Materials Chemistry
Hardback. Illustrates the contributions that modern techniques in simulation and modeling can make to materials chemistry research. This title places emphasis on the applications to materials chemistry including the areas of surface chemistry, solid state chemistry, polymer chemistry and nanoscience. It is intended for researchers, teachers and students. Editor(s): Curtiss, L.A.; Gordon, M.S. Series: Bioelectric Engineering. Num Pages: 372 pages, biography. BIC Classification: PHQ; TDC. Category: (P) Professional & Vocational. Dimension: 244 x 159 x 27. Weight in Grams: 726.
As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable ... Read more
As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable ... Read more
Product Details
Format
Hardback
Publication date
2004
Publisher
Springer-Verlag New York Inc. United States
Number of pages
372
Condition
New
Series
Bioelectric Engineering
Number of Pages
372
Place of Publication
New York, NY, United States
ISBN
9781402017674
SKU
V9781402017674
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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