Applications of Theoretical Methods in Vibrational Spectroscopy
Quantum/Classical Mixed Approach
Series: Lecture Notes in Chemistry; 114;
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Product details:
- Publisher Springer Nature Singapore
- Date of Publication 28 September 2025
- Number of Volumes 1 pieces, Book
- ISBN 9789819646272
- Binding Hardback
- No. of pages230 pages
- Size 235x155 mm
- Language English
- Illustrations XVI, 230 p. 77 illus., 69 illus. in color. Illustrations, black & white 700
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Long description:
"
This book provides unique introduction for experimentalists to theoretically calculate vibrational (IR, Raman, SFG) spectra of molecules in liquid and solid phases. Vibrational spectroscopy is the most popular and valuable tool for scientists to obtain physicochemical insight into complex molecular systems. Although standard softwares of quantum chemistry calculations routinely provide predictions of spectra, this book describes dynamic aspects and spectroscopic accuracy enough to compare our experimental data directly to computations, that lack in the softwares. The quantum/classical mixed approach presented in this book allows researchers including graduate students of chemistry and physics to extract microscopic information of structure and dynamics from their vibrational spectroscopic experimental data with no help from theoreticians.
" MoreTable of Contents:
Basic physics for vibrational spectroscopy: electromagnetism.- Basic physics for vibrational spectroscopy: quantum mechanics.- Quantum/classical mixed approach: construction of vibrational Hamiltonian.- Quantum/classical mixed approach: computation of vibrational spectra.
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