화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Effects of the Level of Electronic Structure Theory on the Dynamics of the F- + CH3I Reaction
Gyori T, Olasz B, Paragi G, Czako G
Journal of Physical Chemistry A, 122(13), 3353, 2018
2 Self-Assembly of N-3-Substituted Xanthines in the Solid State and at the Solid-Liquid Interface
Ciesielski A, Haar S, Benyei A, Paragi G, Guerra CF, Bickelhaupt FM, Masiero S, Szolomajer J, Samori P, Spada GP, Kovacs L
Langmuir, 29(24), 7283, 2013
3 Combination of a modified scoring function with two-dimensional descriptors for calculation of binding affinities of bulky, flexible ligands to proteins
Hetenyi C, Paragi G, Maran U, Timar Z, Karelson M, Penke B
Journal of the American Chemical Society, 128(4), 1233, 2006
4 Investigation of exchange potentials for excited states by parameter fitting
Paragi G, Gyemant IK, Van Doren VE
Chemical Physics Letters, 324(5-6), 440, 2000