✦ LIBER ✦

Frequencies of normal vibrations of XD(Hal)3type molecules predicted

✍ Scribed by Yu. A. Aleshonkova

Publisher: Springer US
Year: 1973
Tongue: English
Weight: 130 KB
Volume: 19
Category: Article
ISSN: 0021-9037
DOI: 10.1007/bf00613717

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Calculation of the force constants and v

Calculation of the force constants and vibration frequencies of molecules of the XH(Hal)3type

✍ Yu. A. Aleshonkova; I. N. Godnev 📂 Article 📅 1969 🏛 Springer US 🌐 English ⚖ 287 KB

Mindo/3 calculations of normal vibration

Mindo/3 calculations of normal vibration frequencies of polyatomic molecules

✍ S. A. Shatokhin; L. A. Gribov; I. S. Perelygin 📂 Article 📅 1986 🏛 Springer US 🌐 English ⚖ 389 KB

Prediction of the frequencies of the nor

Prediction of the frequencies of the normal vibrations of several hexachloride ions of the XC16n−type

✍ A. M. Aleksandrovskaya; M. S. Savogina; N. I. Ushanova 📂 Article 📅 1975 🏛 Springer US 🌐 English ⚖ 161 KB

The vibration of a box-type structure I.

The vibration of a box-type structure I. Natural frequencies and normal modes

✍ N. Popplewell 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 662 KB

The Vibrational Frequencies of the Plane

The Vibrational Frequencies of the Plane Symmetrical X(YZ)3 Molecule

✍ Carl W. F. T. Pistorius 📂 Article 📅 2010 🏛 Wiley (John Wiley & Sons) ⚖ 350 KB

Evaluation of polarizable continuum mode

Evaluation of polarizable continuum model for the prediction of vibrational frequencies of biomimetic molecules in solution

✍ Yves Bouteiller; Jean-Christophe Poully; Gilles Grégoire 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 279 KB

The prediction accuracy of density functional theory (DFT) has been investigated for the calculation of harmonic vibrational frequencies of natural, protected amino acids and dipeptides in solution within two implementations of polarizable conductor continuum model (CPCM). A training set of 20 amino