scholarly journals Recent advances in the molecular simulation of chemical reactions

2014 ◽  
Vol 41 (1-3) ◽  
pp. 1-2 ◽  
Author(s):  
Jerome Delhommelle
ACS Omega ◽  
2020 ◽  
Vol 5 (9) ◽  
pp. 4380-4385
Author(s):  
Ana Rita Calixto ◽  
Cátia Moreira ◽  
Shina Caroline Lynn Kamerlin

2017 ◽  
Vol 71 (7) ◽  
Author(s):  
Seyyed Mahmood Fatemi ◽  
Zeynab Abbasi ◽  
Halimeh Rajabzadeh ◽  
Seyyed Ali Hashemizadeh ◽  
Amir Noori Deldar

2020 ◽  
Vol 22 (39) ◽  
pp. 22157-22179
Author(s):  
Titas Kumar Mukhopadhyay ◽  
Ayan Datta

In this perspective article, recent advances in molecular simulation techniques have been reviewed to shed light on the complexity of liquid phase exfoliation of 2D materials.


Catalysts ◽  
2018 ◽  
Vol 9 (1) ◽  
pp. 1 ◽  
Author(s):  
Francesca Cuomo ◽  
Andrea Ceglie ◽  
Antonella De Leonardis ◽  
Francesco Lopez

Catalysis is at the base of a series of biological and technological application processes. In recent years, the tendency has developed to carry out catalyzed reactions within confined structures, thus forming systems called micro or nanoreactors. Compartmentalized structures are cavities delimited by a wall where specific functions are introduced with a defined concentration and in the desired sites. These containers are generally referred to as nano or microcapsules, assuming the function of reactors in the presence of chemical reactions. Among the various types of existing structures, one of the most interesting is represented by systems made with polymers. This review aims to highlight some of the current advances in the use of functionalized structures that are useful for catalysis reactions, paying particular attention to polymer capsules and enzymes. The built-up methods used for the production of polymer capsules, as well as the aspects that influence membrane permeability and reactivity to environmental conditions, are discussed. Recent advances on biocatalysis confined in polymeric capsules are illustrated, and the strengths and weaknesses of the principal nanoreactors are considered.


2011 ◽  
Vol 37 (7) ◽  
pp. 515-515
Author(s):  
Jerome Delhommelle

2022 ◽  
Author(s):  
Erik Torres ◽  
Eric C. Geistfeld ◽  
Thomas E. Schwartzentruber

2019 ◽  
Vol 45 (14-15) ◽  
pp. 1067-1068
Author(s):  
Jerome Delhommelle

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