This short overview discusses the contribution that computational methods can make to the study of reaction mechanisms in non-noble-metal-catalyzed cross-coupling reactions. The differences between such reactions and those catalyzed by more traditional noble metals are emphasized, together with the challenge this poses to computation
This thesis presents computational studies of some catalytic systems in both organic and organometal...
The area of catalysis has had an immeasurable impact on modern society. This has been acknowledged t...
The literature describing the theoretical modelling of reaction mechanisms involving Transition Meta...
This short overview discusses the contribution that computational methods can make to the study of r...
Catalysis plays a pivotal role in our society since we are critically dependent on plastic materials...
Computational chemistry provides a versatile toolbox for studying mechanistic details of catalytic r...
Understanding the mechanisms of chemical reactions, especially catalysis, has been an important and ...
During the last decades, computational chemistry has become a resourceful tool in the quest to unde...
In recent years, new findings in different branches of chemistry have been highly dependent on compu...
This chapter illustrates recent advances in computational catalysis by highlighting recent theoretic...
A short overview is presented of current status of computational chemistry with respect to issues in...
Known to be weaker than conventional covalent bonds, non-covalent bonds, especially hydrogen bond, h...
This thesis comprises most of the computational results obtained during the three year Chemistry Ph....
Elucidating the origin of enzymatic catalysis stands as one the great challenges of contemporary bio...
<p>In the last two decades, the field of homogeneous gold catalysis has been </p><p>extremely active...
This thesis presents computational studies of some catalytic systems in both organic and organometal...
The area of catalysis has had an immeasurable impact on modern society. This has been acknowledged t...
The literature describing the theoretical modelling of reaction mechanisms involving Transition Meta...
This short overview discusses the contribution that computational methods can make to the study of r...
Catalysis plays a pivotal role in our society since we are critically dependent on plastic materials...
Computational chemistry provides a versatile toolbox for studying mechanistic details of catalytic r...
Understanding the mechanisms of chemical reactions, especially catalysis, has been an important and ...
During the last decades, computational chemistry has become a resourceful tool in the quest to unde...
In recent years, new findings in different branches of chemistry have been highly dependent on compu...
This chapter illustrates recent advances in computational catalysis by highlighting recent theoretic...
A short overview is presented of current status of computational chemistry with respect to issues in...
Known to be weaker than conventional covalent bonds, non-covalent bonds, especially hydrogen bond, h...
This thesis comprises most of the computational results obtained during the three year Chemistry Ph....
Elucidating the origin of enzymatic catalysis stands as one the great challenges of contemporary bio...
<p>In the last two decades, the field of homogeneous gold catalysis has been </p><p>extremely active...
This thesis presents computational studies of some catalytic systems in both organic and organometal...
The area of catalysis has had an immeasurable impact on modern society. This has been acknowledged t...
The literature describing the theoretical modelling of reaction mechanisms involving Transition Meta...