화학공학소재연구정보센터
검색결과 : 35건
No. Article
1 Density Functional Theory Descriptors for Ionic Liquids and the Charge-Transfer Interpretation of the Haven Ratio
Philippi F, Rauber D, Springborg M, Hempelmann R
Journal of Physical Chemistry A, 123(4), 851, 2019
2 Density Functional Theory Descriptors for Ionic Liquids and the Introduction of a Coulomb Correction
Philippi F, Quinten A, Rauber D, Springborg M, Hempelmann R
Journal of Physical Chemistry A, 123(19), 4188, 2019
3 S-adenosyl-L-methionine analogs as enhanced methyl donors: Towards novel epigenetic regulators
Jerbi J, Springborg M, den-Haan H, Ceron-Carrasco JP
Chemical Physics Letters, 690, 74, 2017
4 Energetic, Structural, and Vibrational Properties of 4,4'-Methylenediphenyl Diisocyanate with Relevance for Adhesion
Ramirez M, Vargas J, Springborg M
Journal of Physical Chemistry A, 120(21), 4256, 2016
5 Energetic, Structural, and Vibrational Properties of 4,4'-Methylenediphenyl Diisocyanate with Relevance for Adhesion
Ramirez M, Vargas J, Springborg M
Journal of Physical Chemistry A, 120(24), 4256, 2016
6 Performance of Hybrid DFT Compared to MP2 Methods in Calculating Nonlinear Optical Properties of Divinylpyrene Derivative Molecules
Zouaoui-Rabah M, Sekkal-Rahal M, Djilani-Kobibi F, Elhorri AM, Springborg M
Journal of Physical Chemistry A, 120(44), 8843, 2016
7 4,4'-methylene diphenyl diisocyanate - Conformational space, normal vibrations and infrared spectra
Fug F, Rohe K, Vargas J, Nies C, Springborg M, Possart W
Polymer, 99, 671, 2016
8 Electronic Structure of Ternary Rhodium Hydrides with Lithium and Magnesium
Becker JN, Bauer J, Giehrlt A, Chu PI, Kunkel N, Springborg M, Kohlmann H
Inorganic Chemistry, 53(2), 1135, 2014
9 Alkaline-Earth Metal Hydrides as Novel Host Lattices for Eu-II Luminescence
Kunkel N, Kohlmann H, Sayede A, Springborg M
Inorganic Chemistry, 50(13), 5873, 2011
10 Structural and Electronic Properties of Si-n, Ge-n, and SinGen Clusters
Rehman HU, Springborg M, Dong Y
Journal of Physical Chemistry A, 115(10), 2005, 2011