Theoretical analysis of lactone and carboxylate forms of camptothecin in aqueous solution: electronic states, absorption spectra, and hydration

2021 ◽  
pp. 117804
Author(s):  
Victor V. Kostjukov
Author(s):  
Branislav Milovanović ◽  
Jurica Novak ◽  
Mihajlo Etinski ◽  
Wolfgang Domcke ◽  
Nadja Doslic

Despite many studies, the mechanisms of nonradiative relaxation of uracil in the gas phase and in aqueous solution are still not fully resolved. Here we combine theoretical UV absorption spectroscopy...


1994 ◽  
Vol 359 ◽  
Author(s):  
S.-H. Wang ◽  
M. Kashani ◽  
S. Jansen

ABSTRACTThe availability of large amounts of Buckminsterfullerene has allowed a plethora of experimental investigations on fullerenes. The chemical and physical studies have focussed on synthesis, isomerism, magnetism, spectroscopy and high temperature superconductivity in doped materials. The chemical reactivities of fullerenes have been defined and most of the studies are dominated by C60 isomers. Some of the observed activities of fullerenes parlled those of alkeies. In our previous studies, the reactivity of the 6-6' bond with respect to eco- addition was described. Current studies have exploited the olefinic nature of the 6-6' bond and analyzed the effect of the addition on cluster stability and frontier character. In this work, we describe the mechanisms of simple substitution and analyze stability and orbital effects for the addition chemistry of C60 with multiple species. Evolving changes in orbital frontier character are analyzed with respect to site directed chemistry exhibited by C60.


2007 ◽  
Vol 63 (8) ◽  
pp. 185-192
Author(s):  
Tamako Otsu ◽  
Mitsuhiko Hida

2010 ◽  
Vol 12 (19) ◽  
pp. 4934 ◽  
Author(s):  
Fabrizio Santoro ◽  
Vincenzo Barone ◽  
Alessandro Lami ◽  
Roberto Improta

2007 ◽  
Vol 3 (3) ◽  
pp. 860-869 ◽  
Author(s):  
Angelo Domenico Quartarolo ◽  
Nino Russo ◽  
Emilia Sicilia ◽  
Francesco Lelj

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