✦ LIBER ✦

A high energy classical trajectory study of the reactions O(3P) + H2 → OH + H and O(su(3)P)+H2→ O + H + H

✍ Scribed by Zeev B. Alfassi; Michael Baer

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 551 KB
Volume: 63
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(81)87004-8

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A mixed quantal/classical study of the r

A mixed quantal/classical study of the reaction OH + H2 → H2O + H

✍ N. Balakrishnan; G.D. Billing 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 630 KB

An improved version of a recently reported semiclassical wavepacket approach is used to compute initial state selected total integral cross sections as well as thermal rate constants for the reaction OH+H2 ---\* H20+H. The method involves treating the diatomic vibrations as well as their relative tr

Kinematics of the reaction H2O+(H2,H)H3O

Kinematics of the reaction H2O+(H2,H)H3O+

✍ A.J. Yencha; V. Pacák; Z. Herman 📂 Article 📅 1978 🏛 Elsevier Science ⚖ 522 KB

A further study of the near-thermoneutra

A further study of the near-thermoneutral reactions O2H+ + H2 ⇌ H3+ + O2

✍ N.G. Adams; D. Smith 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 304 KB

Nonadiabatic quantum dynamics in O(3P)+H

Nonadiabatic quantum dynamics in O(3P)+H2→OH+H: A revisited study

✍ Boran Han; Yujun Zheng 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 855 KB

## Abstract To investigate the extent of nonadiabatic effects in the title reaction, quasi‐classical trajectory and nonadiabatic quantum scattering as well as the nonadiabatic quantum‐classical trajectory calculations were performed on the accurate __ab initio__ benchmark potential energy surfaces

Interaction energy and the shift in OH s

Interaction energy and the shift in OH stretch frequency on hydrogen bonding for the H2O → H2O, CH3OH → H2O, and H2O → CH3OH dimers

✍ Richard Kramer Campen; James D. Kubicki 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB 👁 2 views

## Abstract The ability to use calculated OH frequencies to assign experimentally observed peaks in hydrogen bonded systems hinges on the accuracy of the calculation. Here we test the ability of several commonly employed model chemistries—HF, MP2, and several density functionals paired with the 6‐3

The reaction of O(3P) with H2O2

✍ John M. Roscoe 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 399 KB 👁 1 views

The rate constant for the reaction of O(") with H202 was measured as a function of temperature and the [H202]0/[0]0 ratio. The numerical solution of the appropriate rate equations was used to arrive a t a mechanism which adequately describes our results and the rather divergent data in the literatur