scholarly journals Catalytic methyl mercaptan coupling to ethylene in chabazite: DFT study of the first C C bond formation

2016 ◽  
Vol 187 ◽  
pp. 195-203 ◽  
Author(s):  
J. Baltrusaitis ◽  
T. Bučko ◽  
W. Michaels ◽  
M. Makkee ◽  
G. Mul
Keyword(s):  
Bond Formation ◽  
Dft Study ◽  
Methyl Mercaptan

Synthesis of 1,4-dihydropyrazolo[4,3-b]indoles via intramolecular C(sp2)-N bond formation involving nitrene insertion, DFT study and their anticancer assessment

2021 ◽  
pp. 105114
Author(s):  
Manpreet Kaur ◽  
Vikrant Mehta ◽  
Aabid Abdullah Wani ◽  
Sahil Arora ◽  
Prasad V. Bharatam ◽  
...  
Keyword(s):  
Bond Formation ◽  
Dft Study

scholarly journals Differences between the elimination of early and late transition metals: DFT mechanistic insights into the titanium-catalyzed synthesis of pyrroles from alkynes and diazenes

2017 ◽  
Vol 8 (3) ◽  
pp. 2413-2425 ◽  
Author(s):  
Jiandong Guo ◽  
Xi Deng ◽  
Chunyu Song ◽  
Yu Lu ◽  
Shuanglin Qu ◽  
...  
Keyword(s):  
Transition Metals ◽  
Bond Formation ◽  
Reductive Elimination ◽  
Dft Study ◽  
Late Transition Metals ◽  
Late Transition ◽  
Elimination Pathway ◽  
Back Donation

A DFT study demonstrates that titanium is capable of promoting C–N bond formation via an unconventional reductive elimination pathway featuring back-donation (REBD).

Evaluation of the Carbene Hydride Mechanism in the Carbon−Carbon Bond Formation Process of Alkane Metathesis through a DFT Study

2008 ◽  
Vol 130 (25) ◽  
pp. 7984-7987 ◽  
Author(s):  
Sandra Schinzel ◽  
Henry Chermette ◽  
Christophe Copéret ◽  
Jean-Marie Basset
Keyword(s):  
Formation Process ◽  
Bond Formation ◽  
Dft Study ◽  
Carbon Bond ◽  
Alkane Metathesis ◽  
Carbon Carbon Bond

How is N–N bond formation facilitated by P450 NO reductase? A DFT study

2005 ◽  
Vol 407 (4-6) ◽  
pp. 333-336 ◽  
Author(s):  
Mark A. Vincent ◽  
Ian H. Hillier ◽  
Jun Ge
Keyword(s):  
Bond Formation ◽  
Dft Study

Stereospecific Al‐Catalysed Tandem C−N / C−Se Bond Formation of Isoselenocyanates with Aziridines: Synthesis and DFT Study

2018 ◽  
Vol 361 (1) ◽  
pp. 55-58 ◽  
Author(s):  
Vanaparthi Satheesh ◽  
Hemant Kumar Srivastava ◽  
Sundaravel Vivek Kumar ◽  
Mani Sengoden ◽  
Tharmalingam Punniyamurthy
Keyword(s):  
Bond Formation ◽  
Dft Study
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