Oxo Transfer Reactions Mediated by Bis(dithiolene)tungsten Analogues of the Active Sites of Molybdoenzymes in the DMSO Reductase Family:  Comparative Reactivity of Tungsten and Molybdenum

2001 ◽  
Vol 123 (9) ◽  
pp. 1931-1943 ◽  
Author(s):  
Kie-Moon Sung ◽  
R. H. Holm
Keyword(s):  
Active Sites ◽  
Transfer Reactions ◽  
Dmso Reductase ◽  
Oxo Transfer ◽  
Comparative Reactivity

Challenges in constructing accurate methods for hydrogen transfer reactions in large biological assemblies: rare events sampling for mechanistic discovery and tensor networks for quantum nuclear effects

2020 ◽  
Vol 221 ◽  
pp. 379-405 ◽  
Author(s):  
Nicole DeGregorio ◽  
Srinivasan S. Iyengar
Keyword(s):  
Active Sites ◽  
Hydrogen Transfer ◽  
Rare Events ◽  
Transfer Reactions ◽  
Tensor Networks ◽  
Enzyme Active Sites ◽  
Nuclear Effects ◽  
Hydrogen Transfer Reactions

We present two methods that address the computational complexities arising in hydrogen transfer reactions in enzyme active sites.

Chemistry of oxidomolybdenum(IV) and -(VI) complexes with ONS donor ligands: Synthesis, computational evaluation and oxo-transfer reactions

Polyhedron ◽  
2018 ◽  
Vol 141 ◽  
pp. 322-336 ◽  
Author(s):  
Saswati ◽  
Satabdi Roy ◽  
Subhashree P. Dash ◽  
Rama Acharyya ◽  
Werner Kaminsky ◽  
...  
Keyword(s):  
Transfer Reactions ◽  
Donor Ligands ◽  
Computational Evaluation ◽  
Oxo Transfer

scholarly journals Catalytic consequences of open and closed grafted Al(III)-calix[4]arene complexes for hydride and oxo transfer reactions

2013 ◽  
Vol 110 (7) ◽  
pp. 2484-2489 ◽  
Author(s):  
P. Nandi ◽  
W. Tang ◽  
A. Okrut ◽  
X. Kong ◽  
S.-J. Hwang ◽  
...  
Keyword(s):  
Transfer Reactions ◽  
Arene Complexes ◽  
Oxo Transfer

scholarly journals Quantitation of the ligand effect in oxo-transfer reactions of dioxo-Mo(vi) trispyrazolyl borate complexes

2013 ◽  
Vol 42 (9) ◽  
pp. 3071-3081 ◽  
Author(s):  
Partha Basu ◽  
Brian W. Kail ◽  
Andrew K. Adams ◽  
Victor N. Nemykin
Keyword(s):  
Transfer Reactions ◽  
Ligand Effect ◽  
Borate Complexes ◽  
Oxo Transfer

Synthesis, Structures, and Oxo Transfer Reactivity of Bis(dithiolene)tungsten(IV,VI) Complexes Related to the Active Sites of Tungstoenzymes

1998 ◽  
Vol 120 (32) ◽  
pp. 8102-8112 ◽  
Author(s):  
Christian Lorber ◽  
James P. Donahue ◽  
Christine A. Goddard ◽  
Ebbe Nordlander ◽  
R. H. Holm
Keyword(s):  
Active Sites ◽  
Oxo Transfer
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