✦ LIBER ✦

The quantum chemical cluster approach for modeling enzyme reactions

✍ Scribed by Per E.M. Siegbahn; Fahmi Himo

Book ID: 112232659
Publisher: Wiley (John Wiley & Sons)
Year: 2011
Tongue: English
Weight: 502 KB
Volume: 1
Category: Article
ISSN: 1759-0876
DOI: 10.1002/wcms.13

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Recent developments of the quantum chemi

Recent developments of the quantum chemical cluster approach for modeling enzyme reactions

✍ Per E. M. Siegbahn; Fahmi Himo 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 542 KB

Quantum chemical cluster modeling of bou

Quantum chemical cluster modeling of boundary conditions for metal azides

✍ A. V. Kalenskii; L. G. Bulusheva; V. G. Krieger; L. N. Mazalov 📂 Article 📅 2000 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 243 KB

A quantum model for controlled enzymic r

A quantum model for controlled enzymic reactions

✍ S. Comorosan; P. Murgoci 📂 Article 📅 1971 🏛 Springer 🌐 English ⚖ 666 KB

Quantum chemical modeling of enzyme acti

Quantum chemical modeling of enzyme active sites and reaction mechanisms

✍ Fahmi Himo 📂 Article 📅 2005 🏛 Springer 🌐 English ⚖ 299 KB

Open Quantum System Approach to the Mode

Open Quantum System Approach to the Modeling of Spin Recombination Reactions

✍ Tiersch, M.; Steiner, U. E.; Popescu, S.; Briegel, H. J. 📂 Article 📅 2012 🏛 American Chemical Society 🌐 English ⚖ 296 KB

Model calculations for small closed-ring

Model calculations for small closed-ring CdS clusters and chemisorption processes by a quantum chemical cluster approach

✍ Katalin Tóth; Tapani A. Pakkanen 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 526 KB

Chemisorption on small, closed-ring CdS clusters and the electronic structure of the surface were studied using Hartree-Fock valence calculations based upon stepwise density matrix approximations. Detailed valence calculations gave stabilization energies similar to the all-electron results for the s