[Structure and Bonding] Bonding and Compounds of Less Abundant Metals Volume 31 || Application of the functional approach to bond variations under pressure

[Structure and Bonding] Applications of

[Structure and Bonding] Applications of Density Functional Theory to Biological and Bioinorganic Chemistry Volume 150 || Biological Activity and Toxicity: A Conceptual DFT Approach

✍ Putz, Mihai V.; Mingos, D. Michael P. 📂 Article 📅 2012 🏛 Springer Berlin Heidelberg 🌐 German ⚖ 965 KB

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new an

[Structure and Bonding] Applications of

[Structure and Bonding] Applications of Density Functional Theory to Biological and Bioinorganic Chemistry Volume 150 || The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic Chemistry

✍ Putz, Mihai V.; Mingos, D. Michael P. 📂 Article 📅 2012 🏛 Springer Berlin Heidelberg ⚖ 698 KB

[Structure and Bonding] Applications of

[Structure and Bonding] Applications of Density Functional Theory to Biological and Bioinorganic Chemistry Volume 150 || Redox Activation of Small Molecules at Biological Metal Centers

✍ Putz, Mihai V.; Mingos, D. Michael P. 📂 Article 📅 2012 🏛 Springer Berlin Heidelberg 🌐 German ⚖ 712 KB

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new an

[Structure and Bonding] Principles and A

[Structure and Bonding] Principles and Applications of Density Functional Theory in Inorganic Chemistry I Volume 112 || DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds

✍ Kaltsoyannis, N.; McGrady, J.E. 📂 Article 📅 2004 🏛 Springer Berlin Heidelberg 🌐 German ⚖ 383 KB

Dieses Historische Buch Kann Zahlreiche Tippfehler Und Fehlende Textpassagen Aufweisen. Kaufer Konnen In Der Regel Eine Kostenlose Eingescannte Kopie Des Originalen Buches Vom Verleger Herunterladen (ohne Tippfehler). Ohne Indizes. Nicht Dargestellt. 1902 Edition. Auszug: ... S, D, E, D, B, V, Ghs,

[Structure and Bonding] Principles and A

[Structure and Bonding] Principles and Applications of Density Functional Theory in Inorganic Chemistry I Volume 112 || The Calculation of NMR Parameters in Transition Metal Complexes

✍ Kaltsoyannis, N.; McGrady, J.E. 📂 Article 📅 2004 🏛 Springer Berlin Heidelberg ⚖ 630 KB

[Structure and Bonding] Principles and A

[Structure and Bonding] Principles and Applications of Density Functional Theory in Inorganic Chemistry II Volume 113 || Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods

✍ Kaltsoyannis, N.; McGrady, J.E. 📂 Article 📅 2004 🏛 Springer Berlin Heidelberg 🌐 English ⚖ 607 KB

It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably