✦ LIBER ✦

Ab initio study on magnetic properties of 1,1′,5,5′-tetramethyl- 6,6′-dithioxo-3,3′-biverdazyl homo-biradical and 3-(2′6′-di-t-butyl-4′-phenoxyl)-1,5-dimethyl-6-thioxoverdazyl hetero-biradical

✍ Scribed by Shin-ichi Nagaoka; Kazuo Mukai; Umpei Nagashima

Book ID: 114143034
Publisher: Elsevier Science
Year: 1998
Tongue: English
Weight: 96 KB
Volume: 455
Category: Article
ISSN: 0166-1280
DOI: 10.1016/s0166-1280(98)00118-3

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

X-ray study of the hetero ring flexibili

X-ray study of the hetero ring flexibility in 5,6-tri-, 5,6-tetra- and 5,6-penta-methylene-2,3,5,6-tetrahydro-1,3-oxazin-4-ones: The structures of 2-spiropentamethylene-cis-5,6-tetramethylene-2,3,5,6-tetrahydro-1,3-oxazin-4-one (I), 2-spiropentamethylene-cis-5,6-pentamethylene-2,3,5,6-tetrahydro-1,3-oxazin-4-one (c-II) and 2-spiropentamethylene-trans-5,6-pentamethylene-2,3,5,6-tetrahydro-1,3-oxazin-4-one (t-II)

✍ B. Ribár; Á. Kapor; A. Kálmán; Gy. Argay; F. Fülöp; G. Bernáth 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 871 KB

Molecular and crystal structure of 4′,4″

Molecular and crystal structure of 4′,4″-dimethyl-6′,6″-di-t-butyl-2-diphenylamino-4,5;7,8-dibenzo-6H-1,3,2-dioxaphosphocine

✍ O. N. Kataeva; I. A. Litvinov; V. A. Naumov; N. A. Mukmeneva 📂 Article 📅 1989 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 330 KB

Ab initio molecular orbital study on inv

Ab initio molecular orbital study on inversion mechanism of trimethylene bridges of [33](1,3,5)- and [36](1,2,3,4,5,6)cyclophanes

✍ Kenzi Hori; Wakana Sentou; Teruo Shinmyozu 📂 Article 📅 1997 🏛 Elsevier Science 🌐 French ⚖ 221 KB

Balancing steric and electronic factors

Balancing steric and electronic factors in push-pull benzenes: an ab initio study on the molecular structure of 1,3,5-triamino-2,4,6-trinitrobenzene and related compounds

✍ Baldridge, Kim K.; Siegel, Jay S. 📂 Article 📅 1993 🏛 American Chemical Society 🌐 English ⚖ 462 KB

An ab initio study of the structures and

An ab initio study of the structures and properties of the XH3.0.CO;2-6/asset/equation/tex2gif-stack-1.gif?v=1&t=h5o1u01t&s=f0564d329b3a20ba93f50bb114b0b5f43bd4e66a" class="inlineGraphic"> and XH3.0.CO;2-6/asset/equation/tex2gif-stack-2.gif?v=1&t=h5o1u01t&s=3028c085e80f7af45e0c371525a02839db9e470b" class="inlineGraphic"> (X=C, Si, Ge) dications

✍ Peter Babinec; Jerzy Leszczynski 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 206 KB 👁 3 views

The ab initio electronic structure calculations at the MP2 and the Becke Ž . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ž . energies of the XH and XH X s C, Si, Ge