Applications of Theoretical Methods in Vibrational Spectroscopy
Quantum/Classical Mixed Approach
Series: Lecture Notes in Chemistry; 114;
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77 157 Ft (73 483 Ft + 5% VAT)
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77 157 Ft
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Product details:
- Publisher Springer
- Date of Publication 27 June 2025
- Number of Volumes 1 pieces, Book
- ISBN 9789819646272
- Binding Hardback
- No. of pages270 pages
- Size 235x155 mm
- Language English
- Illustrations 6 Illustrations, black & white; 70 Illustrations, color 700
Categories
Short 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.
MoreLong 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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