✦ LIBER ✦

Ab initio investigation of the structural and electronic differences between active-site models of [NiFe] and [NiFeSe] hydrogenases

✍ Scribed by L. De Gioia; P. Fantucci; B. Guigliarelli; P. Bertrand

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 408 KB
Volume: 73
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1999)73:2<187::aid-qua12>3.0.co;2-x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Synthesis and Structure of a Biomimetic

Synthesis and Structure of a Biomimetic Model of the Iron Hydrogenase Active Site Covalently Linked to a Ruthenium Photosensitizer

✍ Sascha Ott; Mikael Kritikos; Björn Åkermark; Licheng Sun 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 134 KB 👁 1 views

Synthesis and Structure of a Biomimetic

Synthesis and Structure of a Biomimetic Model of the Iron Hydrogenase Active Site Covalently Linked to a Ruthenium Photosensitizer

✍ Sascha Ott; Mikael Kritikos; Björn Åkermark; Licheng Sun 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 134 KB 👁 1 views

Although known for more than 75 years, [1] sulfur-containing binuclear complexes of iron have recently experienced a renaissance as interesting synthetic targets as they closely resemble the active site of iron hydrogenases (FeH), a naturally occurring class of enzymes which regulate the production

Ab initio investigation of the diels-ald

Ab initio investigation of the diels-alder reaction between 2H-phosphole and phosphaethene: A model for phosphole dimerization

✍ Salzner, Ulrike; Bachrach, Steven M.; Mulhearn, Debbie C. 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 415 KB 👁 1 views

All four possible Diels᎐Alder reactions between 2 H-phosphole and phosphaethene were examined at various theoretical levels, including HF, Ž . MP4SDQ, CCSD T , and CASSCF. MP2r6-31G\* geometry optimizations could not be employed since the potential energy surface is qualitatively incorrect at this l

An ab initio investigation of the electr

An ab initio investigation of the electronic structure of lithium azide (LiN3), sodium azide (NaN3), and lead azide [Pb(N3)2]

✍ Edward H. Younk; A. Barry Kunz 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 155 KB 👁 1 views

Solid energetic substances have long played an important technological role as explosives, as well as for fuels. In this article, the authors concentrate on a type of explosive considered a primary explosive, lead azide, and its related compounds, lithium azide and sodium azide. Recent interest in m