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Fundamental vibrational frequencies of small polyatomic molecules from density-functional calculations and vibrational perturbation theory

✍ Scribed by Neugebauer, Johannes; Hess, Bernd A.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Perturbation calculation of the frequenc

✍ L. A. Gribov; O. I. Kondratov; M. I. Klima; A. V. Kotov; V. V. Zhogina 📂 Article 📅 1972 🏛 Springer US 🌐 English ⚖ 367 KB

Vibrational theory of polyatomic molecul

✍ Bron, Jan; Wallace, R. 📂 Article 📅 1978 🏛 The Royal Society of Chemistry ⚖ 538 KB

Direct calculation of anharmonic vibrati

✍ Wright, Nicholas J.; Gerber, R. Benny 📂 Article 📅 2000 🏛 American Institute of Physics 🌐 English ⚖ 351 KB

Density functional theory calculations o

✍ J.W. Finley; P.J. Stephens 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 801 KB

Direct calculation of anharmonic vibrati

✍ Nicholas J. Wright; R. Benny Gerber; David J. Tozer 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 70 KB

Structures and vibrational frequencies o

✍ Hutter, Juerg; Luethi, Hans Peter; Diederich, Francois 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 837 KB