✦ LIBER ✦

ChemInform Abstract: Density Functional Theory for Transition Metal Chemistry: The Case of a Water-Splitting Ruthenium Cluster

✍ Scribed by Maren Podewitz; Thomas Weymuth; Markus Reiher

Book ID: 112045193
Publisher: John Wiley and Sons
Year: 2012
Weight: 18 KB
Volume: 43
Category: Article
ISSN: 0931-7597
DOI: 10.1002/chin.201223207

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Modeling of Molecular Properties (COMBA:

Modeling of Molecular Properties (COMBA:PROPERTIES MODELING O-BK) || Density Functional Theory for Transition Metal Chemistry: The Case of a Water-Splitting Ruthenium Cluster

✍ Comba, Peter 📂 Article 📅 2011 🏛 Wiley-VCH Verlag GmbH & Co. KGaA 🌐 German ⚖ 439 KB

Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to larg

ChemInform Abstract: Density-Functional

ChemInform Abstract: Density-Functional Theory as a Practical Tool in Studies of Transition Metal Chemistry and Catalysis

✍ T. ZIEGLER 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 24 KB 👁 2 views

Assessment of density functional theory

Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: The case of small Ni[sub n] (n≤5) clusters

✍ López Arvizu, Gregorio; Calaminici, Patrizia 📂 Article 📅 2007 🏛 American Institute of Physics 🌐 English ⚖ 734 KB

[Theoretical and Computational Chemistry

[Theoretical and Computational Chemistry] Modern Density Functional Theory - A Tool for Chemistry Volume 2 || Constrained optimization procedure for finding transition states and reaction pathways in the framework of gaussian based density functional method: the case of isomerization reactions

✍ Abashkin, Y. 📂 Article 📅 1995 🏛 Elsevier 🌐 English ⚖ 766 KB