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Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations

Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations

Authors
Publisher John Wiley & Sons Inc
Year 16/03/2018
Pages 480
Version hardback
Readership level Professional and scholarly
ISBN 9780470725627
Categories Quantum physics (quantum mechanics & quantum field theory), Quantum & theoretical chemistry, Mechanical engineering & materials
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Book description

Focusing on spectroscopic properties of molecular systems, Quantum Modeling of Molecular Materials presents the state-of-the-art methods in theoretical chemistry that are used to determine molecular properties relevant to different spectroscopies. This timely reference gives a basic presentation of response theory and its application to the simulation of spectroscopic properties of molecular materials. This in-depth presentation of time-dependent response theory and its applications in spectroscopy provides an important advance towards a modern vision of theoretical tools for researchers in academia and industry and postgraduate students.

Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations

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