Ferrocenyl hetaryl thioketones: A computational study of their conformational stability

作者: Piotr Matczak , Grzegorz Mlostoń , Wolfgang Weigand

DOI: 10.1002/QUA.26033

关键词:

摘要:

参考文章(46)
V.G. Andrianov, Yu.T. Struchkov, P.V. Petrovskii, E.I. Fedin, D.N. Kursanov, S.P. Dolgova, V.N. Setkina, Metallocenic thioketones as two-electron ligands : III .13 C nmr spectra and structure of a cymantrene derivative with a cymantrenylphenylthioketone ligand Journal of Organometallic Chemistry. ,vol. 221, pp. 183- 191 ,(1981) , 10.1016/S0022-328X(00)89053-1
Uwe Rohr, Jürgen Schatz, Jürgen Sauer, THIO- AND SELENOCARBONYL COMPOUNDS AS SUPERDIENOPHILES IN 4+2 CYCLOADDITIONS European Journal of Organic Chemistry. ,vol. 1998, pp. 2875- 2883 ,(1998) , 10.1002/(SICI)1099-0690(199812)1998:12<2875::AID-EJOC2875>3.0.CO;2-N
Mark E Tuckerman, Ab initio molecular dynamics: basic concepts, current trends and novel applications Journal of Physics: Condensed Matter. ,vol. 14, ,(2002) , 10.1088/0953-8984/14/50/202
E Espinosa, E Molins, C Lecomte, Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities Chemical Physics Letters. ,vol. 285, pp. 170- 173 ,(1998) , 10.1016/S0009-2614(98)00036-0
Florian Weigend, Reinhart Ahlrichs, Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Physical Chemistry Chemical Physics. ,vol. 7, pp. 3297- 3305 ,(2005) , 10.1039/B508541A
Akihide Ryo, Yih-Cherng Liou, Kun Ping Lu, Gerburg Wulf, Prolyl isomerase Pin1: a catalyst for oncogenesis and a potential therapeutic target in cancer. Journal of Cell Science. ,vol. 116, pp. 773- 783 ,(2003) , 10.1242/JCS.00276
William G. Hoover, Canonical dynamics: Equilibrium phase-space distributions Physical Review A. ,vol. 31, pp. 1695- 1697 ,(1985) , 10.1103/PHYSREVA.31.1695
Shuichi Nosé, A unified formulation of the constant temperature molecular dynamics methods Journal of Chemical Physics. ,vol. 81, pp. 511- 519 ,(1984) , 10.1063/1.447334
Chengteh Lee, Weitao Yang, Robert G. Parr, Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Physical Review B. ,vol. 37, pp. 785- 789 ,(1988) , 10.1103/PHYSREVB.37.785