화학공학소재연구정보센터
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No. Article
1 Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory
Battaglia S, Faginas-Lago N, Andrae D, Evangelisti S, Leininger T
Journal of Physical Chemistry A, 121(19), 3746, 2017
2 Low-Lying Electronic States of CuAu
Sanati DA, Andrae D
Journal of Physical Chemistry A, 120(29), 5856, 2016
3 Electronic Quantum Fluxes during Pericyclic Reactions Exemplified for the Cope Rearrangement of Semibullvalene
Andrae D, Barth I, Bredtmann T, Hege HC, Manz J, Marquardt F, Paulus B
Journal of Physical Chemistry B, 115(18), 5476, 2011
4 Molecular dynamics simulations of dendrimer-encapsulated alpha-keggin ions in trichloromethane solution
Brodbeck R, Tonsing T, Andrae D, Volkmer D
Journal of Physical Chemistry B, 112(16), 5153, 2008
5 A comparative study of finite nucleus models far low-lying states of few-electron high-Z atoms
Andrae D, Reiher M, Hinze J
Chemical Physics Letters, 320(5-6), 457, 2000