✦ LIBER ✦

Density Functional Study on the Effect of the trans Axial Ligand of B 12 Cofactors on the Heterolytic Cleavage of the Co−C Bond

✍ Scribed by Dölker, Nicole; Maseras, Feliu; Lledós, Agustí

Book ID: 126873995
Publisher: American Chemical Society
Year: 2003
Tongue: English
Weight: 193 KB
Volume: 107
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp026233p

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A Density Functional Study on the Effect

A Density Functional Study on the Effect of the Trans Axial Ligand of Cobalamin on the Homolytic Cleavage of the Co−C Bond

✍ Dölker, Nicole; Maseras, Feliu; Lledós, Agustí 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 103 KB

Electronic Properties of the Axial Co−C

Electronic Properties of the Axial Co−C and Co−S Bonds in B12 Systems − A Density Functional Study

✍ Lucio Randaccio; Silvano Geremia; Mauro Stener; Daniele Toffoli; Ennio Zangrando 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 446 KB 👁 2 views

The numerous accurate structural data of cobalamins now available allows us to optimize the geometry of these systems, based on a simplified model by using density functional theory (DFT) calculations. This approach, which reproduces the trend of the experimental distances derived from EXAFS and X-r

A Systematic Density Functional Theory S

A Systematic Density Functional Theory Study of the C−N Bond Cleavage of Methylamine on Metals

✍ Li, Jun; Li, Rui-Fang; Wang, Gui-Chang 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 106 KB

DFT/B3LYP study of the solvent effect on

DFT/B3LYP study of the solvent effect on the reaction enthalpies of homolytic and heterolytic OH bond cleavage in mono-substituted chromans

✍ Meysam Najafi; Mansour Zahedi; Erik Klein 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 777 KB

Density Functional Theory Study on the S

Density Functional Theory Study on the Semiconducting Properties of Metal Phthalocyanine Compounds: Effect of Axially Coordinated Ligand

✍ Cai, Xue; Zhang, Yuexing; Qi, Dongdong; Jiang, Jianzhuang 📂 Article 📅 2009 🏛 American Chemical Society 🌐 English ⚖ 635 KB

Kinetic and Equilibrium Study on the Axi

Kinetic and Equilibrium Study on the Axial-Ligand Substitution Reaction of the Head-to-Tail α-Pyridonate-Bridged cis-Diammineplatinum(III) Dinuclear Complex: trans Effect of the Axial Ligand through the Pt−Pt Bond to the Opposite Axial Ligand

✍ Nami Saeki; Yuji Hirano; Yasunari Sasamoto; Ichiro Sato; Tsuyoshi Toshida; Souse 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 463 KB 👁 2 views