As in the study of transition metal complexes in solution, molecular spectroscopic methods - principally the infrared, ultraviolet/visible and electron spin resonance spectroscopies - have played key roles in establishing the concepts of coordination chemistry occurring at the surfaces of solids. Th
โฆ LIBER โฆ
Exploring the molecular mechanisms of reactions at surfaces
โ Scribed by J. R. B. Gomes; S. Gonzalez; D. Torres; F. Illas
- Book ID
- 111472271
- Publisher
- Pleiades Publishing
- Year
- 2007
- Tongue
- English
- Weight
- 332 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1990-7931
No coin nor oath required. For personal study only.
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## Abstract The implementation of a Lagrange multiplier method in a molecular mechanics computer program is discussed. This gives a very efficient method to apply constraints in empirical force field calculations for the exploration of potential energy surfaces.
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