Long-time tails in two-dimensional fluids by molecular dynamics

1997 ◽  
Vol 240 (1-2) ◽  
pp. 268-276 ◽  
Author(s):  
Mauro Ferrario ◽  
Antonino Fionino ◽  
Giovanni Ciccotti
1982 ◽  
Vol 88 (2) ◽  
pp. 208-212 ◽  
Author(s):  
Marvin Bishop ◽  
J.P.J. Michels

1990 ◽  
Vol 42 (12) ◽  
pp. 7187-7194 ◽  
Author(s):  
Toyoaki Naitoh ◽  
Matthieu H. Ernst ◽  
James W. Dufty

1986 ◽  
Vol 57 (20) ◽  
pp. 2477-2480 ◽  
Author(s):  
Th. M. Nieuwenhuizen ◽  
P. F. J. van Velthoven ◽  
M. H. Ernst

Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.


Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.


1980 ◽  
Vol 72 (8) ◽  
pp. 4562-4568 ◽  
Author(s):  
Mariana Weissmann ◽  
Norah V. Cohan

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