✦ LIBER ✦

A localised orbital study of bond properties in LiNH+3, LiNH2 and Li2NH

✍ Scribed by A. Hinchliffe

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 309 KB
Volume: 45
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(77)85216-0

No coin nor oath required. For personal study only.

✦ Synopsis

In this paper we report Boys-localised MO's for LiNHf. LINHz and LizNH and an analysis of their one-electron properties and population analysis indices.

📜 SIMILAR VOLUMES

A Comparative Study of the Structural, E

A Comparative Study of the Structural, Electronic, and Vibrational Properties of NH3BH3 and LiNH2BH3: Theory and Experiment

✍ Seung Mi Lee; Xiang-Dong Kang; Ping Wang; Hui-Ming Cheng; Young Hee Lee 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 697 KB

Mechanism of Novel Reaction from LiNH2 a

Mechanism of Novel Reaction from LiNH2 and LiH to Li2NH and H2 as a Promising Hydrogen Storage System.

✍ Takayuki Ichikawa; Nobuko Hanada; Shigehito Isobe; Haiyan Leng; Hironobu Fujii 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 52 KB 👁 2 views

ChemInform Abstract: Mechanistic Study o

ChemInform Abstract: Mechanistic Study of LiNH2BH3 Formation from (LiH)4+NH3BH3 and Subsequent Dehydrogenation

✍ Tae Bum Lee; Michael L. McKee 📂 Article 📅 2009 🏛 John Wiley and Sons ⚖ 15 KB 👁 1 views

Density functional study of electronic,b

Density functional study of electronic,bonding, and vibrational properties of Ca (NH2BH3)2

✍ Ch. Bheema Lingam; K. Ramesh Babu; Surya P. Tewari; G. Vaitheeswaran 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 867 KB

## Abstract We present structural, electronic, bonding and vibrational properties of new type hydrogen storage material calcium amidoborane ${\rm Ca}({\rm NH}\_{2}{\rm BH}\_{3})\_{2}$ by first principles density functional theory using plane wave pseudopotential method. The calculated ground state

An electron-impact study of ammonia clus

An electron-impact study of ammonia clusters in a supersonic molecular beam: appearance potentials of NH4+, (NH3)2+, (NH3)2H+, (NH3)3+, (NH33H+ and (NH2NH3)+

✍ K. Stephan; J.H. Futrell; K.I. Peterson; A.W. Castleman Jr.; H.E. Wagner; N. Dju 📂 Article 📅 1982 🏛 Elsevier Science ⚖ 980 KB

Structure and properties of NH52+: A dic

Structure and properties of NH52+: A dication with two 2-electron 3-center bonds

✍ Janet E. Del Bene; John D. Watts; Rodney J. Bartlett 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 268 KB 👁 1 views

The dication NH 2q has been studied by state-of-the-art quantum 5 chemical techniques. NH 2q is a square-based pyramid with C symmetry. The apical H 5 4 v is bonded to N with a 2-electron covalent bond, while the other H atoms are bonded to N through degenerate 2-electron 3-center bonds. No other lo