\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.4]{isms.eps} \end{wrapfigure} Previous work on 1H,2H-hexafluorocyclopentene and 1H-heptafluorocyclopentene\footnote{Ring puckering potentials of three fluorinated cyclopentenes: C5F8, C5HF7, and C5H2F6 E. A. Arsenault, B. E. Long, Wallace C. Pringle, Yoon Jeong Choi, S. A. Cooke, Esther J Ocola, Jaan Laane, Talk MG05, 70th International Symposium on Molecular Spectroscopy, 2015} has been improved upon and broadened. A test set of small pseudo-four membered rings with known experimental barriers to planarity has been used to explore suitable quantum mechanical approaches to this type of molecular problem. The best method has then been applied to 1H,2H-hexafluorocyclopentene and 1H-heptafl...
First principle simulations of an extended hexameric molecular switch are reported. The full switchi...
<p>The existence of C–H···F–C hydrogen bonds in the complexes of trifluoromethane and cyclic molecul...
Motivated by previous experimental results on fluorinated cyclooctatetraenes, we report calculations...
begin{wrapfigure}{r}{0pt} includegraphics[scale=0.4]{isms.eps} end{wrapfigure} A systematic study o...
Perfluorocyclopentene, like cyclopentene, is expected to have a nonplanar structure with a low barri...
Fluorination is commonly exercised in compound property optimization. However, the influence of fluo...
Effect of electronegative substituents on ring opening of [2.2.2]propellane was examined by quantum ...
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Ci...
Suprafacial sigmatropic shift reactions of 5-substituted cyclopentadienes, 3-substituted cycloprope...
Author Institution: Department of Chemistry, Wesleyan University MiddletownThe potential barrier to ...
International audienceFluorination is commonly exercised in compound property optimization. However,...
This work attempts to shed some light on some of the fundamental chemistry utilized by C-F bonds in ...
The fluorinated half sandwich complex [CpCoLF] (Cp = cyclopentadiene; LF = o-perfluoro-phenylenediim...
Strategically fluorinated compounds such as the all-cis-pentafluorocyclohexane ‘Janus’ rings, the su...
This study is aimed at evaluating organic fluorine as a hydrogen bonding acceptor. A review of short...
First principle simulations of an extended hexameric molecular switch are reported. The full switchi...
<p>The existence of C–H···F–C hydrogen bonds in the complexes of trifluoromethane and cyclic molecul...
Motivated by previous experimental results on fluorinated cyclooctatetraenes, we report calculations...
begin{wrapfigure}{r}{0pt} includegraphics[scale=0.4]{isms.eps} end{wrapfigure} A systematic study o...
Perfluorocyclopentene, like cyclopentene, is expected to have a nonplanar structure with a low barri...
Fluorination is commonly exercised in compound property optimization. However, the influence of fluo...
Effect of electronegative substituents on ring opening of [2.2.2]propellane was examined by quantum ...
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Ci...
Suprafacial sigmatropic shift reactions of 5-substituted cyclopentadienes, 3-substituted cycloprope...
Author Institution: Department of Chemistry, Wesleyan University MiddletownThe potential barrier to ...
International audienceFluorination is commonly exercised in compound property optimization. However,...
This work attempts to shed some light on some of the fundamental chemistry utilized by C-F bonds in ...
The fluorinated half sandwich complex [CpCoLF] (Cp = cyclopentadiene; LF = o-perfluoro-phenylenediim...
Strategically fluorinated compounds such as the all-cis-pentafluorocyclohexane ‘Janus’ rings, the su...
This study is aimed at evaluating organic fluorine as a hydrogen bonding acceptor. A review of short...
First principle simulations of an extended hexameric molecular switch are reported. The full switchi...
<p>The existence of C–H···F–C hydrogen bonds in the complexes of trifluoromethane and cyclic molecul...
Motivated by previous experimental results on fluorinated cyclooctatetraenes, we report calculations...