✦ LIBER ✦

Torsional barrier, ionization potential, and electron affinity of biphenyl—A theoretical study

✍ Scribed by Arulmozhiraja, Sundaram; Fujii, Toshihiro

Book ID: 118044561
Publisher: American Institute of Physics
Year: 2001
Tongue: English
Weight: 282 KB
Volume: 115
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1418438

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical study of electron affinities

Theoretical study of electron affinities, ionization potentials and photoionization cross-sections of chalcogen heterocyclopentadienes

✍ V. Galasso 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 450 KB

Theoretical determination of electron af

Theoretical determination of electron affinity and ionization potential of DNA and RNA bases

✍ Nino Russo; Marirosa Toscano; André Grand 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 161 KB 👁 2 views

Theoretical Determinations of Ionization

Theoretical Determinations of Ionization Potential and Electron Affinity of Glycinamide Using Density Functional Theory

✍ Li, Ping; Bu, Yuxiang; Ai, Hongqi 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 860 KB

Correlation study of Franck-Condon barri

Correlation study of Franck-Condon barriers associated with electron self-exchange reactions with ionization potentials and electron affinities and experimental Born-Oppenheimer potentials

✍ Yuxianq Bu; Yongjun Liu; Conghao Deng 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 798 KB

The ionization potential, electron affin

The ionization potential, electron affinity and energy gap of polyimide

✍ Sherif A. Kafafi 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 241 KB

The ionization potential (IP), electron affinity (EA) and energy gap (E,) of polyimide are estimated from molecular orbital (MO) computations using the AMI method on model compounds. Their computed values are 8.5, 1.4 and 7.1 eV, respectively. Interestingly, it was found that the EA of polyimide is

Structures, Potential Energy Curves, and

Structures, Potential Energy Curves, and Torsional Barrier Heights for Selected Polychlorinated Biphenyls: A Density Functional Theory Study

✍ Arulmozhiraja, Sundaram; Selvin, P. Christopher; Fujii, Toshihiro 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 58 KB