✦ LIBER ✦

Theoretical Calculations on the NCCP Potential Energy Surface

✍ Scribed by Kwon, Ohyun; McKee, Michael L.

Book ID: 126300309
Publisher: American Chemical Society
Year: 2001
Tongue: English
Weight: 92 KB
Volume: 105
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp0031855

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical calculations of the excited

Theoretical calculations of the excited state potential energy surfaces of nitric oxide

✍ Olga V. Ershova; Nicholas A. Besley 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 317 KB

Theoretical revisit on potential energy

Theoretical revisit on potential energy surface of [C3H6N]+

✍ Gui-xia Liu; Yi-hong Ding; Ze-sheng Li; Xu-ri Huang; Chia-Chung Sun 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 675 KB

Theoretical study on potential energy su

Theoretical study on potential energy surface of C3H3O+

✍ Z.-W Qu; Y.-H Ding; Z.-S Li 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 488 KB

Theoretical calculations of the quartet

Theoretical calculations of the quartet potential energy surfaces in the NH+ + H2 system

✍ Rudolf Polák; Ivana Paidarová; Philip J. Kuntz 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 722 KB

Theoretical study on the potential energ

Theoretical study on the potential energy surface of the Si2PO system

✍ Zhong-Jun Zhou; Xu-Ri Huang; Qing-Zhong Li; Chia-Chung Sun 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 919 KB

The structures, energetics, spectroscopies, and isomerization of the doublet Si 2 PO radical are explored at various levels. At the UB3LYP/6-311+G(2df) level, a total of 12 minimum isomers and 15 interconversion transition states are located. Four cyclic isomers are found to be thermodynamically and

Ab initio theoretical calculation and po

Ab initio theoretical calculation and potential energy surface for ground-state HO3

✍ H.G. Yu; A.J.C. Varandas 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 163 KB