화학공학소재연구정보센터
검색결과 : 15건
No. Article
1 D-3d ground-state structure of V(CO)(6): A combined matrix isolation and ab initio study of the Jahn-Teller effect
Bernhardt E, Willner H, Kornath A, Breidung J, Buhl M, Jonas V, Thiel W
Journal of Physical Chemistry A, 107(6), 859, 2003
2 Superelectrophilic tetrakis(carbonyl)palladium(II)- and -platinum(II) undecafluorodiantimonate(V), [Pd(CO)(4)][Sb2F11](2) and [Pt(CO)(4)][Sb2F11](2): Syntheses, physical and spectroscopic properties, their crystal, molecular, and extended structures, and density functional calculation: An experimental, computational, and comparative study
Willner H, Bodenbinder M, Brochler R, Hwang G, Rettig SJ, Trotter J, von Ahsen B, Westphal U, Jonas V, Thiel W, Aubke F
Journal of the American Chemical Society, 123(4), 588, 2001
3 Syntheses, molecular structures, and vibrational spectra of chloropentacarbonylrhodium(III) and -iridium(III) undecafluorodiantimonate(V), [Rh(CO)(5)Cl][Sb2F11](2) and [Ir(CO)(5)Cl][Sb2F11](2): An experimental and density functional study
Willner H, Bach C, Wartchow R, Wang CQ, Rettig SJ, Trotter J, Jonas V, Thiel W, Aubke F
Inorganic Chemistry, 39(9), 1933, 2000
4 Bis(carbonyl)platinum(II) derivatives: Molecular structure of cis-Pt(CO)(2)(SO3F)(2), complete vibrational analysis of cis-Pt(CO)(2)Cl-2, and attempted synthesis of cis-Pt(CO)(2)F-2
von Ahsen B, Wartchow R, Willner H, Jonas V, Aubke F
Inorganic Chemistry, 39(20), 4424, 2000
5 Implementation and refinement of the modified-conductorlike screening quantum mechanical solvation model at the MP2 level
Baldridge KK, Jonas V
Journal of Chemical Physics, 113(17), 7511, 2000
6 Ground state gas and solution phase conformational dynamics of polar processes: Furfural systems
Baldridge KK, Jonas V, Bain AD
Journal of Chemical Physics, 113(17), 7519, 2000
7 Symmetry force fields for neutral and ionic transition metal carbonyl complexes from density functional theory
Jonas V, Thiel W
Journal of Physical Chemistry A, 103(10), 1381, 1999
8 Refinement and parametrization of COSMO-RS
Klamt A, Jonas V, Burger T, Lohrenz JCW
Journal of Physical Chemistry A, 102(26), 5074, 1998
9 Infrared-Spectrum and Structure of Me(2)TiCl(2) and Quantum-Mechanical Calculations of Geometries and Force-Fields for Meticl(3) and Me(2)TiCl(2)
Mcgrady GS, Downs AJ, Bednall NC, Mckean DC, Thiel W, Jonas V, Frenking G, Scherer W
Journal of Physical Chemistry A, 101(10), 1951, 1997
10 Bents Rule and the Structure of Transition-Metal Compounds
Jonas V, Boehme C, Frenking G
Inorganic Chemistry, 35(7), 2097, 1996