화학공학소재연구정보센터
검색결과 : 25건
No. Article
1 Determination of the origin of stereoselectivity in multiple-transition-state reactions using DFT calculations: Enantioselective synthesis of homoallylic alcohols from aliphatic methyl ketones via an auxiliary-mediated allylation
Tietze LF, Kinzel T, Schmatz S
Journal of the American Chemical Society, 130(13), 4386, 2008
2 New highly enantioselective thiourea-based bifunctional organocatalysts for nitro-Michael addition reactions
Wei SW, Yalalov DA, Tsogoeva SB, Schmatz S
Catalysis Today, 121(1-2), 151, 2007
3 Spectator modes in reaction dynamics revisited: Reaction cross sections and rate constant for Cl-+CH3Br -> ClCH3+Br- from quantum scattering
Hennig C, Schmatz S
Chemical Physics Letters, 446(4-6), 250, 2007
4 Rotating-top approximation in reduced-dimensionality quantum calculations of rate constants: Application to complex-forming nucleophilic substitution
Hennig C, Schmatz S
Journal of Physical Chemistry A, 110(4), 1524, 2006
5 Secondary kinetic isotope effect in nucleophilic substitution: A quantum-mechanical approach
Hennig C, Oswald RB, Schmatz S
Journal of Physical Chemistry A, 110(9), 3071, 2006
6 Origin of syn/anti diastereoselectivity in aldehyde and ketone crotylation reactions: A combined theoretical and experimental study
Tietze LF, Kinzel T, Schmatz S
Journal of the American Chemical Society, 128(35), 11483, 2006
7 19-Electron intermediates and cage-effects in the photochemical disproportionation of [CpW(CO)(3)](2) with Lewis bases
Cahoon JF, Kling MF, Schmatz S, Harris CB
Journal of the American Chemical Society, 127(36), 12555, 2005
8 State-selected dynamics of the complex-forming bimolecular reaction Cl-+CH3Cl'-> ClCH3+Cl'(-): A four-dimensional quantum scattering study
Hennig C, Schmatz S
Journal of Chemical Physics, 121(1), 220, 2004
9 Bilinear Jahn-Teller coupling effects in the methoxy radical: impact on photoelectron spectra and spin-orbit splittings
Schmidt-Klugmann J, Koppel H, Schmatz S, Botschwina P
Chemical Physics Letters, 369(1-2), 21, 2003
10 Four-mode calculation of resonance states of intermediate complexes in the S(N)2 reaction Cl-+CH3Cl'-> ClCH3+Cl'(-)
Schmatz S, Hauschildt J
Journal of Chemical Physics, 118(10), 4499, 2003