The theoretical modelling of chemically active transition metal (TM) centres is a notoriously difficult task. The metal-ligand interactions in these complexes are often highly directional and the concoction of suitable analytic interaction potentials can be far from trivial. The situation is rendere
β¦ LIBER β¦
Modelling Metal Complexes of Calixarene Esters and Phosphine Oxides Using Molecular Mechanics
β Scribed by Paddy Kane; Kevin Kincaid; Darren Fayne; Dermot Diamond; M. Anthony McKervey
- Publisher
- Springer-Verlag
- Year
- 2000
- Tongue
- English
- Weight
- 396 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1610-2940
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Hybrid Car-Parrinello/Molecular Mechanic
β
Guidoni, Leonardo ;Maurer, Patrick ;Piana, Stefano ;Rothlisberger, Ursula
π
Article
π
2002
π
John Wiley and Sons
π
English
β 228 KB
ChemInform Abstract: Catalytic, Enantios
β
D. FERRARIS; B. YOUNG; T. DUDDING; T. LECTKA
π
Article
π
2010
π
John Wiley and Sons
β 35 KB
π 1 views
A molecular mechanics force field for rh
β
Lamprecht, Delanie; Lamprecht, Gert J.
π
Article
π
2000
π
John Wiley and Sons
π
English
β 280 KB
π 2 views
The main purpose of the development of an Rh(I) Carbonyl Phosphine force field was to predict the molecular structure of Rh(I) complexes as well as to compute possible intermediates or transition states during the oxidative addition of CH 3 I to these complexes.
Theoretical and molecular modelling stud
β
John O. Morley
π
Article
π
2010
π
Elsevier Science
π
English
β 384 KB
Mechanisms of Arsenic Adsorption on Amor
β
Sabine Goldberg; Cliff T. Johnston
π
Article
π
2001
π
Elsevier Science
π
English
β 231 KB
Molecular mechanics calculations of Ξ²-di
β
Michael G. Razumov; Vladimir L. Melnikov; Igor V. Pletnev
π
Article
π
2000
π
John Wiley and Sons
π
English
β 229 KB
π 1 views