A Computational Study on the Hydride Transfer Mechanism between Nicotinamide and Menadione

2018 ◽  
Vol 3 (42) ◽  
pp. 11977-11985
Author(s):  
Shiva Rezazadeh ◽  
Ali Ebrahimi
Keyword(s):  
Computational Study ◽  
Hydride Transfer ◽  
Transfer Mechanism

Computational study on the mechanism of hydroboration of CO2 catalysed by POCOP pincer nickel thiolate complexes: concerted catalysis and hydride transfer by a shuttle

2021 ◽  
Vol 50 (8) ◽  
pp. 2903-2914
Author(s):  
Nana Ma ◽  
Chenhao Tu ◽  
Qingli Xu ◽  
Wenyue Guo ◽  
Jie Zhang ◽  
...  
Keyword(s):  
Computational Study ◽  
Hydride Transfer ◽  
Dft Computations ◽  
Thiolate Complexes

The concerted catalysis and hydride shuttle mechanism for pincer nickel thiolate catalysed hydroboration of CO2 was established by DFT computations.

scholarly journals Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase

ACS Omega ◽  
2018 ◽  
Vol 3 (4) ◽  
pp. 3665-3674 ◽  
Author(s):  
Aleksandra Maršavelski ◽  
Dušan Petrović ◽  
Paul Bauer ◽  
Robert Vianello ◽  
Shina Caroline Lynn Kamerlin
Keyword(s):  
Diamine Oxidase ◽  
Valence Bond ◽  
Hydride Transfer ◽  
Transfer Mechanism ◽  
Empirical Valence Bond ◽  
Human Diamine Oxidase

Mechanistic insights and computational design of half-sandwich iridium and rhodium complexes for hydrogenation of quinoline

2019 ◽  
Vol 43 (22) ◽  
pp. 8459-8464
Author(s):  
Xiuli Yan ◽  
Xinzheng Yang
Keyword(s):  
Dft Calculations ◽  
Hydride Transfer ◽  
Computational Design ◽  
Transfer Mechanism ◽  
Rhodium Complexes ◽  
Half Sandwich

DFT calculations reveal a stepwise proton and hydride transfer mechanism for the hydrogenation of quinoline to 1,2,3,4-tetrahydroquinoline catalysed by half-sandwich Cp*Ir(NHC) complexes.

Dynamically Bifurcating Hydride Transfer Mechanism and Origin of Inverse Isotope Effect for Heterodinuclear AgRu-Catalyzed Alkyne Semihydrogenation

ACS Catalysis ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 2657-2663 ◽  
Author(s):  
Ying Zhang ◽  
Malkanthi K. Karunananda ◽  
Hsien-Cheng Yu ◽  
Kyle J. Clark ◽  
Wendy Williams ◽  
...  
Keyword(s):  
Isotope Effect ◽  
Hydride Transfer ◽  
Transfer Mechanism ◽  
Inverse Isotope Effect

Photoreduction of oxoisoaporphines. Another example of a formal hydride-transfer mechanism

2004 ◽  
Vol 3 (2) ◽  
pp. 194-199 ◽  
Author(s):  
Julio R. De la Fuente ◽  
Carolina Jullian ◽  
Claudio Saitz ◽  
Eduardo Sobarzo-Sánchez ◽  
Verónica Neira ◽  
...  
Keyword(s):  
Hydride Transfer ◽  
Transfer Mechanism

scholarly journals Utilizing Ph-Driven Time-Resolved Crystallography to Elucidate the Hydride Transfer Mechanism in Bacterial HMG-CoA Reductase

2021 ◽  
Vol 120 (3) ◽  
pp. 126a
Author(s):  
Vatsal Purohit ◽  
Calvin Steussy ◽  
Tim Schmidt ◽  
Chandra J. Critchelow ◽  
Tony Rosales ◽  
...  
Keyword(s):  
Hydride Transfer ◽  
Transfer Mechanism ◽  
Hmg Coa Reductase ◽  
Time Resolved ◽  
Coa Reductase
Sign in / Sign up

Export Citation Format

Share Document