Retraction of “Influence of Solvent Nature on the Solubility of Halogenated Alkanes”

2015 ◽  
Vol 60 (3) ◽  
pp. 970-970
Author(s):  
Marina Prezhdo ◽  
Valentina Zubkova ◽  
Victor Prezhdo
2012 ◽  
Vol 57 (7) ◽  
pp. 1945-1952 ◽  
Author(s):  
Marina Prezhdo ◽  
Valentina Zubkova ◽  
Victor Prezhdo

1979 ◽  
Vol 44 (9) ◽  
pp. 2633-2638 ◽  
Author(s):  
Hans-Jörg Hofmann ◽  
Josef Kuthan

The conformation of nicotinamide (I) and 1-methyl-1,4-dihydronicotinamide (II) was examined using the NDDO method. The influence of solvent on the molecular structure of the title compounds was estimated by means of a continuum model. Analysis of the NDDO wave functions contributes to the knowledge about the mechanism of the NADH reduction.


1990 ◽  
Vol 55 (8) ◽  
pp. 1891-1895 ◽  
Author(s):  
Peter Ertl

Twisting of the NMe2 group in p-N,N-dimethylaminobenzonitrile (DMABN) was investigated using AM1 semiempirical method with configuration interaction. Effect of polar media was considered by placing + and - charge centers ("sparkles") at appropriate places opposite the molecule. Optimized ground state geometry of DMABN is slightly twisted with the lowest vertical excited state of 1B character. As the polarity of media increases and/or the - NMe2 group twists, the symmetric 1A excited state having considerable charge separation becomes energetically favorable. Anomalous long-wavelength emission of DMABN comes from this state.


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