✦ LIBER ✦

An extended multireference study of the electronic states of para-benzyne

✍ Scribed by Wang, Evan B.; Parish, Carol A.; Lischka, Hans

Book ID: 121227101
Publisher: American Institute of Physics
Year: 2008
Tongue: English
Weight: 671 KB
Volume: 129
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.2955744

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Multireference singles and doubles confi

Multireference singles and doubles configuration interaction study on the electronic states of GaP

✍ Biswabrata Manna; Kalyan Kumar Das 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 445 KB

Ab initio quantum-chemical study of the

Ab initio quantum-chemical study of the lower-lying electronic states of o-benzyne

✍ Hans Ulrich Suter; Tae-Kyu Ha 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 548 KB

The lower-lying singlet and triplet states of o-benzyne (C,H,) have been calculated by ab initio methods such as CASSCF, CASPTZ, MR-CISD and MR-ACPF schemes employing an AN0 basis set as well as the CIS method. The calculated results are compared with a recent electronic absorption spectrum of trans

Multireference CI study of the electron

Multireference CI study of the electron affinity of C3

✍ Hiroyuki Fueno; Shigeru Ikuta 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 230 KB

An ab initio multireference doubles exci

An ab initio multireference doubles excitation configuration interaction study of low-lying electronic states of Cd2 using Slater-type orbitals

✍ José M. García de la Vega; Beatriz Miguel 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 106 KB

Electronic states of the FO radical. An

Electronic states of the FO radical. An MRSDCI study

✍ Fang-Qing Xie; Yu-Xing Xia; Ming-Bao Huang 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 390 KB

The electronic states of cyclopropane st

The electronic states of cyclopropane studied by VUV absorption and ab initio multireference configuration interaction calculations

✍ Walker, I C; Holland, D M P; Shaw, D A; McEwen, I J; Guest, M F 📂 Article 📅 2007 🏛 Institute of Physics 🌐 English ⚖ 235 KB