Volume 43; Issue 14

Main
Chemical Society Reviews
Volume 43; Issue 14

Chemical Society Reviews

Volume 43; Issue 14

1

Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis

Viñes, Francesc, Gomes, José R. B., Illas, Francesc

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 4.72 MB

english, 2014

2

A tutorial for understanding chemical reactivity through the valence bond approach

Usharani, Dandamudi, Lai, Wenzhen, Li, Chunsen, Chen, Hui, Danovich, David, Shaik, Sason

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 4.30 MB

english, 2014

3

Chemical applications carried out by local pair natural orbital based coupled-cluster methods

Sparta, Manuel, Neese, Frank

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 2.34 MB

english, 2014

4

Challenges in modelling homogeneous catalysis: new answers from ab initio molecular dynamics to the controversy over the Wacker process

Stirling, András, Nair, Nisanth N., Lledós, Agustí, Ujaque, Gregori

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 2.27 MB

english, 2014

5

Foreword: Applied computational chemistry

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 883 KB

english, 2014

6

Applied computational chemistry

Fernández, Israel, Cossío, Fernando P.

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 973 KB

english, 2014

7

Conceptual DFT: chemistry from the linear response function

Geerlings, Paul, Fias, Stijn, Boisdenghien, Zino, De Proft, Frank

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 4.33 MB

english, 2014

8

A theoretical view of protein dynamics

Orozco, Modesto

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 2.02 MB

english, 2014

9

Versatile reactivity of Pd-catalysts: mechanistic features of the mono-N-protected amino acid ligand and cesium-halide base in Pd-catalyzed C–H bond functionalization

Musaev, Djamaladdin G., Figg, Travis M., Kaledin, Alexey L.

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 4.87 MB

english, 2014

10

The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes

Garcia-Borràs, Marc, Osuna, Sílvia, Luis, Josep M., Swart, Marcel, Solà, Miquel

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 3.54 MB

english, 2014

11

The activation strain model and molecular orbital theory: understanding and designing chemical reactions

Fernández, Israel, Bickelhaupt, F. Matthias

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 3.05 MB

english, 2014

12

Aromaticity in transition structures

Schleyer, Paul von Ragué, Wu, Judy I., Cossío, Fernando P., Fernández, Israel

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 3.70 MB

english, 2014

13

Front cover

Journal:

Chemical Society Reviews

Année:

2014

Fichier:

PDF, 620 KB

2014

14

New bonding modes of carbon and heavier group 14 atoms Si–Pb

Frenking, Gernot, Tonner, Ralf, Klein, Susanne, Takagi, Nozomi, Shimizu, Takayazu, Krapp, Andreas, Pandey, Krishna K., Parameswaran, Pattiyil

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 9.75 MB

english, 2014

15

Quantum-chemical insights into mixed-valence systems: within and beyond the Robin–Day scheme

Parthey, M., Kaupp, M.

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 2.97 MB

english, 2014

16

Inside front cover

Journal:

Chemical Society Reviews

Année:

2014

Fichier:

PDF, 351 KB

2014

17

How cyclobutanes are assembled in nature – insights from quantum chemistry

Hong, Young J., Tantillo, Dean J.

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 2.66 MB

english, 2014

18

Contents list

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 2.32 MB

english, 2014

19

Back cover

Journal:

Chemical Society Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2014