High-pressure effects on ultrafast-relaxation kinetics of excitons in polydiacetylene 4BCMU

1991 ◽  
Vol 66 (18) ◽  
pp. 2364-2367 ◽  
Author(s):  
B. C. Hess ◽  
G. S. Kanner ◽  
Z. V. Vardeny ◽  
G. L. Baker
2020 ◽  
Author(s):  
Daniele Loco ◽  
Riccardo Spezia ◽  
François Cartier ◽  
Isabelle Chataigner ◽  
Jean-Philip Piquemal

High pressure effects on the Diels-Alder reaction in condensed phase are investigated by means oftheoretical methods, employing advanced multiscale modeling approaches based on physically groundedmodels. The simulations reveal how the increase of pressure from 1 to 10000 atm does not affect thestability of the reaction products, modifying the kinetics of the process by lowering considerably thetransition state energy. The reaction profile at high pressure remarkably differs from that at 1 atm,showing a submerged TS and a pre–TS structure lower in energy. The different solvation between endoand exo pre–TS is revealed as the driving force pushing the reaction toward a much higher preferencefor the endo product at high pressure.


2020 ◽  
Author(s):  
Daniele Loco ◽  
Riccardo Spezia ◽  
François Cartier ◽  
Isabelle Chataigner ◽  
Jean-Philip Piquemal

High pressure effects on the Diels-Alder reaction in condensed phase are investigated by means oftheoretical methods, employing advanced multiscale modeling approaches based on physically groundedmodels. The simulations reveal how the increase of pressure from 1 to 10000 atm does not affect thestability of the reaction products, modifying the kinetics of the process by lowering considerably thetransition state energy. The reaction profile at high pressure remarkably differs from that at 1 atm,showing a submerged TS and a pre–TS structure lower in energy. The different solvation between endoand exo pre–TS is revealed as the driving force pushing the reaction toward a much higher preferencefor the endo product at high pressure.


1977 ◽  
Vol 66 (2) ◽  
pp. 875-876 ◽  
Author(s):  
M. Lamotte ◽  
S. Risemberg ◽  
A. M. Merle ◽  
J. Joussot‐Dubien

2005 ◽  
Vol 66 (10) ◽  
pp. 1621-1627 ◽  
Author(s):  
P. Thangadurai ◽  
A. Chandra Bose ◽  
S. Ramasamy ◽  
R. Kesavamoorthy ◽  
T.R. Ravindran

ACS Omega ◽  
2021 ◽  
Author(s):  
Ryo Matsumoto ◽  
Sayaka Yamamoto ◽  
Yoshihiko Takano ◽  
Hiromi Tanaka

1975 ◽  
Vol 11 (7) ◽  
pp. 2705-2706 ◽  
Author(s):  
C. Boekema ◽  
F. van der Woude ◽  
G. A. Sawatzky

2014 ◽  
Vol 73 ◽  
pp. 138-143 ◽  
Author(s):  
Yuchuan Tao ◽  
Zbigniew A. Dreger ◽  
Yogendra M. Gupta

Author(s):  
Kenneth E. Prehoda ◽  
Ed S. Mooberry ◽  
John L. Markley

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