✦ LIBER ✦

On the calculation of isotopic frequencies and force constants by parametric method

✍ Scribed by S. Karunanithi

Publisher: Wiley (John Wiley & Sons)
Year: 2010
Weight: 124 KB
Volume: 88
Category: Article
ISSN: 0037-9646
DOI: 10.1002/bscb.19790880903

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Comments on force-constant calculations

Comments on force-constant calculations by the energy method

✍ J.G.C.M. Van Dujineveldt-Van De Rijdt; F.B. Van Dujineveldt 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 640 KB

Unrestricted Hartree—Fock calculation of

Unrestricted Hartree—Fock calculation of force constants and vibrational frequencies of the HCO radical

✍ P. Botschwina 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 453 KB

UHk SCF ulculations with ZI medium-sized basis set of gaussian lobe functions have been performed on the ground state of the X0 Ladical. All the harmonic and the diagonal cubic force constants have been calculated by thb force method of Pulay. From the force constants, vibrational frequexies have be

Vibrational spectra and force constants

Vibrational spectra and force constants calculations of the isotopic species of MgCaSiO4

✍ M. Handke; K. Kosinski; P. Tarte 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 260 KB

Calculation of Diagonal Force Constants

Calculation of Diagonal Force Constants by the Stepwise Coupling Method: M.P.E.M. (Matrix Polynomial Expansion Method)

✍ Alain J. P. Alix; Benjamin van Der Veken; Sadao Isotani; Michel Manfait 📂 Article 📅 2010 🏛 Wiley (John Wiley & Sons) ⚖ 427 KB

## Abstract The calculation of an approximate Simple symmetry Valence Force Field including determination of diagonal symmetry valence force constants is achieved by using an iterative process derived from the Stepwise Coupling Method (SCM) in the form of the Matrix Polynomial Expansion Method (M.P

The influence of substituents on the car

The influence of substituents on the carbonyl stretching frequency; CNDO/2 force constant and localized orbital calculations

✍ G. Van Der Plaats; W.M.A. Smit 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 571 KB

A note on the comparison of the high low

A note on the comparison of the high low frequency separation with other apprixmation methods for the calculation of force constants

✍ A. Müller; N. Mohan; K.H. Schmidt; I.W. Levin 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 307 KB

The high low frequency sepzmtion method is used to describe the different approximation methods for solvinp ,I = 7 secular determinants. Estension of this procedure to higher-order secu1a.r dcterminnnts is indicated.