화학공학소재연구정보센터
검색결과 : 64건
No. Article
1 Origin of the Solvatochromism in Organic Fluorophores with Flexible Side Chains: A Case Study of Flugi-2
Wolff FE, Hofener S, Elstner M, Wesolowski TA
Journal of Physical Chemistry A, 123(21), 4581, 2019
2 Tetrameric Charge-Zipper Assembly of the TisB Peptide in Membranes-Computer Simulation and Experiment
Schneider V, Wadhwani P, Reichert J, Burck J, Elstner M, Ulrich AS, Kubar T
Journal of Physical Chemistry B, 123(8), 1770, 2019
3 Microsecond Simulation of Electron Transfer in DNA: Bottom-Up Parametrization of an Efficient Electron Transfer Model Based on Atomistic Details
Wolter M, Elstner M, Kleinekathofer U, Kubar T
Journal of Physical Chemistry B, 121(3), 529, 2017
4 Fluorinated Boronic Acid-Appended Pyridinium Salts and F-19 NMR Spectroscopy for Diol Sensing
Axthelm J, Askes SHC, Elstner M, Reddy GU, Gorls H, Bellstedt P, Schiller A
Journal of the American Chemical Society, 139(33), 11413, 2017
5 Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
Christensen AS, Kubar T, Cui Q, Elstner M
Chemical Reviews, 116(9), 5301, 2016
6 Mechanism by which Untwisting of Retinal Leads to Productive Bacteriorhodopsin Photocycle States
Wolter T, Elstner M, Fischer S, Smith JC, Bondar AN
Journal of Physical Chemistry B, 119(6), 2229, 2015
7 Solvent Driving Force Ensures Fast Formation of a Persistent and Well-Separated Radical Pair in Plant Cryptochrome
Ludemann G, Solov'yov IA, Kubar T, Elstner M
Journal of the American Chemical Society, 137(3), 1147, 2015
8 Microbial and Animal Rhodopsins: Structures, Functions, and Molecular Mechanisms
Ernst OP, Lodowski DT, Elstner M, Hegemann P, Brown LS, Kandori H
Chemical Reviews, 114(1), 126, 2014
9 Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals
Heck A, Woiczikowski PB, Kubar T, Welke K, Niehaus T, Giese B, Skourtis S, Elstner M, Steinbrecher TB
Journal of Physical Chemistry B, 118(16), 4261, 2014
10 Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models
Goyal P, Qian HJ, Irle S, Lu XY, Roston D, Mori T, Elstner M, Cui Q
Journal of Physical Chemistry B, 118(38), 11007, 2014