Gas phase versus solution chemistry: on the reversal of regiochemistry of methylation of sp2- and sp3-nitrogens

2001 ◽  
Vol 42 (39) ◽  
pp. 6949-6952 ◽  
Author(s):  
Jennifer S Brodbelt ◽  
John Isbell ◽  
Jonathan M Goodman ◽  
Henry V Secor ◽  
Jeffrey I Seeman
2020 ◽  
Vol 2020 (45) ◽  
pp. 7051-7061
Author(s):  
Michaela Wernik ◽  
Peter E. Hartmann ◽  
Gellért Sipos ◽  
Ferenc Darvas ◽  
A. Daniel Boese ◽  
...  

1989 ◽  
Vol 111 (7) ◽  
pp. 2667-2674 ◽  
Author(s):  
Haim Shalev ◽  
Dennis H. Evans

2006 ◽  
Vol 24 (3) ◽  
pp. 215-228 ◽  
Author(s):  
F. Cosnier ◽  
A. Celzard ◽  
G. Furdin ◽  
D. Bégin ◽  
J.F. Marêché

The present work deals with the influence of water on the adsorption of two chlorinated volatile organic compounds (VOCs) on activated carbons (ACs) having very different pore textures and surface chemistry. Two kinds of moisture were considered, viz. pre-adsorbed on the AC or present as steam in the gaseous phase, at various relative humidities ranging from 30% to 75%. It is shown that the adsorption of the VOCs depends on the kind of moisture. If the latter is pre-adsorbed, water is just displaced by the VOCs (overshoot). The adsorption capacities of the AC remain unchanged and only some minor changes in the shape of the breakthrough front, corresponding to hindered diffusion, may sometimes occur. In contrast, the simultaneous adsorption of steam and VOC leads to competition between water and the chlorinated compound, with direct consequences on the adsorption kinetics and capacities of the AC. However, the decrease of the water-induced adsorption performances depends strongly on the AC and the VOC (through different VOC/AC and water/VOC interactions), and on the concentration of the VOC.


1999 ◽  
Vol 71 (3) ◽  
pp. 574-581 ◽  
Author(s):  
Vasil Vorsa ◽  
Kenneth F. Willey ◽  
Nicholas Winograd

2016 ◽  
Vol 18 (32) ◽  
pp. 22122-22128 ◽  
Author(s):  
Fernando Buendía ◽  
Jorge A. Vargas ◽  
Marcela R. Beltrán ◽  
Jack B. A. Davis ◽  
Roy L. Johnston

The combined use of a genetic algorithm and Density Functional Theory (DFT) calculations allows us to explore the potential energy surface. Our results show interesting effects on the geometries of the clusters on deposition. Two-dimensional clusters in the gas phase become three-dimensional and vice versa.


Sign in / Sign up

Export Citation Format

Share Document