화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Reaction mechanism of chorismate mutase studied by the combined potentials of quantum mechanics and molecular mechanics
Lee YS, Worthington SE, Krauss M, Brooks BR
Journal of Physical Chemistry B, 106(46), 12059, 2002
2 An MD/QM study of the chorismate mutase-catalyzed Claisen rearrangement reaction
Worthington SE, Roitberg AE, Krauss M
Journal of Physical Chemistry B, 105(29), 7087, 2001
3 The Claisen rearrangement of an unusual substrate in chorismate mutase
Worthington SE, Krauss M
Journal of Physical Chemistry B, 105(29), 7096, 2001
4 The electronic spectrum of the prephenate dianion. An experimental and theoretical (MD/QM) comparison
Roitberg AE, Worthington SE, Holden MJ, Mayhew MP, Krauss M
Journal of the American Chemical Society, 122(30), 7312, 2000
5 Electronic-Structures of Aziridenium and Cyclopropylidene - Hypovalent Atoms in 3-Membered Rings
Cramer CJ, Worthington SE
Journal of Physical Chemistry, 99(5), 1462, 1995