✦ LIBER ✦

Ab initio study of NH3and H2O adsorption on pristine and Na-doped MgO nanotubes

✍ Scribed by Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Book ID: 120779471
Publisher: Springer
Year: 2012
Tongue: English
Weight: 481 KB
Volume: 24
Category: Article
ISSN: 1040-0400
DOI: 10.1007/s11224-012-0047-6

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations of H2O and O2 ads

Ab initio calculations of H2O and O2 adsorption on Al2O3 substrates

✍ E.M. Fernández; R.I. Eglitis; G. Borstel; L.C. Balbás 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 158 KB

Ab initio study of the reaction of CHO+

Ab initio study of the reaction of CHO+ with H2O and NH3

✍ L�pez, R.; Del R�o, E.; Men�ndez, M. I.; Sordo, T. L. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 352 KB 👁 1 views

An MP4 full,SDTQ r6-311qqG d,p rrMP2 full r6-311qq Ž . G d,p ab initio study was performed of the reactions of formyl and isoformyl cations with H O and NH , which play an important role in flame and 2 3 interstellar chemistries. Two different confluent channels were located leading to CO q H O q r

Ab Initio Study of Adsorption and Decomp

Ab Initio Study of Adsorption and Decomposition of NH 3 on Si(100)-(2×1)

✍ Widjaja, Yuniarto; Mysinger, Michael M.; Musgrave, Charles B. 📂 Article 📅 2000 🏛 American Chemical Society 🌐 English ⚖ 86 KB

Ab initio calculations on the C-H… O hyd

Ab initio calculations on the C-H… O hydrogen-bonded systems CH4-H2O, CH3NH2-H2O and CH3NH3+-H2O

✍ T. van Mourik; F.B. van Duijneveldt 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 944 KB

Structures, stabilities and ionization p

Structures, stabilities and ionization potentials of Na(H2O) n and Na(NH3)n (n= 1–6) clusters. An ab initio MO study

✍ Kenro Hashimoto; Shaoren He; Keiji Morokuma 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 672 KB

The structure and stability of Na(H,O),, and Na(NH,). (n= 1-6) have been calculated at the HF/3-21G level. For n24 Na(HIO), is a surface complex, where Na atom tends to be situated on the surface of (H,O), cluster. Na(NI-$), is an inclusion complex where Na is surrounded by NH3 molecules. Water-wate

An Ab Initio Study on the Mechanism of t

An Ab Initio Study on the Mechanism of the Atmospheric Reaction NH2+O3→H2NO+O2

✍ Julio Peiró-García; Ignacio Nebot-Gil; Manuela Merchán 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 125 KB 👁 3 views