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Matrix Property of Vibrational Overlap Integrals

✍ Scribed by NICHOLLS, R. W.

Book ID: 109664470
Publisher: Nature Publishing Group
Year: 1968
Tongue: English
Weight: 237 KB
Volume: 219
Category: Article
ISSN: 0028-0836
DOI: 10.1038/219151b0

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📜 SIMILAR VOLUMES

Molecular Vibrational Overlap Integrals

✍ BENNETT, R. J. M.; SOMERVILLE, W. B. 📂 Article 📅 1969 🏛 Nature Publishing Group 🌐 English ⚖ 168 KB

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Overlap integrals of the sturm functions

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Some Properties and Uses of Torsional Ov

Some Properties and Uses of Torsional Overlap Integrals

✍ Mirza A. Mekhtiev; Jon T. Hougen 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 321 KB

The first diagonalization step in a rho-axis-method treatment of methyl-top internal rotation problems involves finding eigenvalues and eigenvectors of a torsional Hamiltonian, which depends on the rotational projection quantum number K as a parameter. Traditionally the torsional quantum number vt =

Recursion formulae for calculation of ov

Recursion formulae for calculation of overlap integrals

✍ N. C. Datta; B. Sen 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 314 KB

Multi-( Slater-type orbitals are frequently used in molecular orbital calculations. Master formulae and numerical tables are available in literature for overlap integrals between s, p , and d atomic orbitals up to principal quantum number (n) = 3 and for some other selected quantum numbers. However,