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The Quantum Mechanics of Atoms and Molecules

✍ Scribed by Lennard-Jones, J. E.

Book ID
120100763
Publisher
Oxford University Press
Year
1931
Tongue
English
Weight
741 KB
Volume
s1-6
Category
Article
ISSN
0024-6107

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πŸ“œ SIMILAR VOLUMES

Scaled quantum mechanical computations o
Scaled quantum mechanical computations of vibrational spectra of organoelement molecules, containing the atoms P, S, and Cl
✍ Sergey Katsyuba; Elena Vandyukova πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 176 KB

Density functional theory has been used for the calculation of vibrational force fields of organoelement molecules. Optimal scaling factors for various stretching and bending force constants are derived from a training set of 12 molecules, containing H, C, N, O, P, S, and Cl atoms, and used to scale

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*Philosophy of Chemistry* investigates the foundational concepts and methods of chemistry, the science of the nature of substances and their transformations. This groundbreaking collection, the most thorough treatment of the philosophy of chemistry ever published, brings together philosophers, scien