✦ LIBER ✦

The CH+N2 reaction over the ground electronic doublet potential energy surface: a detailed transition state search

✍ Scribed by L.V Moskaleva; W.S Xia; M.C Lin

Book ID: 108312106
Publisher: Elsevier Science
Year: 2000
Tongue: English
Weight: 204 KB
Volume: 331
Category: Article
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(00)01160-x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A potential energy surface for the elect

A potential energy surface for the electronic ground state of CO2

✍ Yuhui Lu; Daiqian Xie; Guosen Yan 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 168 KB 👁 2 views

The potential energy surface for the electronic ground state of CO 2 is refined by means of a two-step variational procedure using the exact rovibrational Hamiltonian in the bond length-bond angle coordinates. In the refinement, the observed rovibrational energy levels for J = 0-4 below 16,000 cm -1

Adiabatic wavepacket dynamics study of t

Adiabatic wavepacket dynamics study of the N+NH→N2+H reaction on the ground-state potential energy surface

✍ Yang, Huan; Ge, Meihua; Zheng, Yujun 📂 Article 📅 2014 🏛 Elsevier Science 🌐 English ⚖ 857 KB

A Potential Energy Surface for the Elect

A Potential Energy Surface for the Electronic Ground State of H2Te Derived from Experiment

✍ P.C. Gómez; Per Jensen 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 312 KB

We report here the determination of a new potential energy surface for the electronic ground state of the H 2 Te molecule by fitting to an extensive set of very recent experimental spectroscopic data (see J.-M. Flaud, P. Arcas, H. Bu ¨rger, O. Polanz, and L. Halonen, J. Mol. Spectrosc. 183, 310-335

Dissociating N 2 : a multi-reference cou

Dissociating N 2 : a multi-reference coupled cluster study on the potential energy surfaces of ground and excited states

✍ Engels-Putzka, Anna; Hanrath, Michael 📂 Article 📅 2009 🏛 Taylor and Francis Group 🌐 English ⚖ 243 KB

Ab initio and DFT study of the ground 3A

Ab initio and DFT study of the ground 3A′ potential energy surface for the O(3P)+N2O→2NO reaction

✍ Miguel González; Rosendo Valero; R. Sayós 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 162 KB

Dynamics of the 18O + 16O2(υ=0) exchange

Dynamics of the 18O + 16O2(υ=0) exchange reaction on a new potential energy surface for ground-state ozone

✍ A.J.C. Varandas; J.N. Murrell 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 443 KB

A quasxlassical traJectory study of the thcrmoneutral isotopic o\ygcn exchange reaction was made usmg a recently rcported potentnl cncrgy surface for the ground state of ozone. The calcubtcd macroscopic rPlc constsnls show an Improvcmcnt over the previous quasiclassical results when compared Hilth t