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Influence of Internal Degrees of Freedom on Electric and Related Molecular Properties

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Influence of Internal Degrees of Freedom on Electric and Related Molecular Properties/ by Alexander S. Sharipov, Boris I. Loukhovitski, Ekaterina E. Loukhovitskaya.
作者:	Sharipov, Alexander S.
其他作者:	Loukhovitskaya, Ekaterina E.
面頁冊數:	XII, 98 p. 51 illus., 50 illus. in color.online resource. :
Contained By:	Springer Nature eBook
標題:	Computational Chemistry. -
電子資源:	https://doi.org/10.1007/978-3-030-84632-9
ISBN:	9783030846329

Influence of Internal Degrees of Freedom on Electric and Related Molecular Properties
Sharipov, Alexander S.

Influence of Internal Degrees of Freedom on Electric and Related Molecular Properties[electronic resource] /by Alexander S. Sharipov, Boris I. Loukhovitski, Ekaterina E. Loukhovitskaya. - 1st ed. 2022. - XII, 98 p. 51 illus., 50 illus. in color.online resource. - SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,2730-776X. - SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,.

Introduction -- Dependencies of Potential Energy and Electric Properties of Molecule on Nuclear Displacements -- Energy Levels and State-Specific Electric Properties -- Influence of Vibrational and Rotational Degrees of Freedom of Molecules on Their Optical Properties -- Polarizability of Electronically Excited States -- The Effect of Non-equilibrium in Internal Degrees of Freedom of Molecules on Their Physical Properties -- Conclusions and Future Prospects.

This book discusses the effect of the excitation of rotational, vibrational, and electronic degrees of freedom on the basic electrical properties of molecules and, as a consequence, on molecular optical and transport properties together with reactivity. It additionally summarizes the theory and practice of calculating state-specific electric and optical properties based on ab initio quantum chemical calculations. The book offers a clear, up-to-date review and is primarily intended for actively working researchers, graduate students, and advanced undergraduates who are interested in the electric and related properties of the electronically, rotationally, and vibrationally excited molecules.

ISBN: 9783030846329

Standard No.: 10.1007/978-3-030-84632-9doiSubjects--Topical Terms:

1390200
Computational Chemistry.

LC Class. No.: QC170-197

Dewey Class. No.: 539

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