McGrady, J. E.

Principles and Applications of Densitiy Functional Theory in Inorganic Chemistry I

by Kaltsoyannis, N., McGrady, J. E.

0 Type: Book

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…

Principles and Applications of Density Functional Theory in Inorganic Chemistry I

by Kaltsoyannis, N., McGrady, J. E.

fromStructure and Bonding

0 Type: Book

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…