✦ LIBER ✦

Vibrational Dynamics of the I 3 Radical: A Semiempirical Potential Surface, and Semiclassical Calculation of the Anion Photoelectron Spectrum

✍ Scribed by Margulis, C. J.; Horner, D. A.; Bonella, S.; Coker, D. F.

Book ID: 126835707
Publisher: American Chemical Society
Year: 1999
Tongue: English
Weight: 371 KB
Volume: 103
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp992596m

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structure, vibrational frequencies, ioni

Structure, vibrational frequencies, ionization energies, and photoelectron spectrum of the para-benzyne radical anion

✍ Vitalii Vanovschi; Anna I. Krylov; Paul G. Wenthold 📂 Article 📅 2007 🏛 Springer 🌐 English ⚖ 652 KB

Semiempirical calculation of the CH4+ CH

Semiempirical calculation of the CH4+ CH3· → CH3· + CH4radical-reaction potential surfaces in a basis of frontier orbitals

✍ O. B. Spirina; N. V. Shokhirev 📂 Article 📅 1991 🏛 Springer 🌐 English ⚖ 390 KB

A comparison of the ham/3 semiempirical

A comparison of the ham/3 semiempirical method with the mindo/3 and cndo/2 semiempirical methods and the GAUSSIAN 70 ab initio method; a comparison of ionization potential calculations and experimental photoelectron spectra of some imines and diimines

✍ D.C. Frost; W.M. Lau; C.A. McDowell; N.P.C. Westwood 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 871 KB

A comparison of the HAM/3 semiempirical

A comparison of the HAM/3 semiempirical method with the MINDO/3 and CNDO/2 semiempirical methods and the GAUSSIAN 70 ab initio method; a comparison of ionization potential calculations and experimental photoelectron spectra of some imines and diimines

✍ D.C. Frost; W.M. Lau; C.A. McDowell; N.P.C. Westwood 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 802 KB

Global potential energy surface, vibrati

Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited (Ã [sup 2]A[sup ʹ]) state of HO[sub 2]

✍ Li, Anyang; Xie, Daiqian; Dawes, Richard; Jasper, Ahren W.; Ma, Jianyi; Guo, Hua 📂 Article 📅 2010 🏛 American Institute of Physics 🌐 English ⚖ 725 KB

Calculation of the potential surfaces of

Calculation of the potential surfaces of the H2— D2exchange reaction in the gas phase and on the surface of metals (nickel and copper) by a semiempirical SCF LCAO MO CI method

✍ I. I. Zakharov; V. D. Sutula 📂 Article 📅 1975 🏛 Springer 🌐 English ⚖ 658 KB