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Nature Communications, ISSN 2041-1723, 10/2016, Volume 7, Issue 1, p. 12968
Photochemical reactions in solution often proceed via competing reaction pathways comprising intermediates that capture a solvent molecule. A disclosure of the... 
AUXILIARY BASIS-SETS | SPECTROSCOPY | PICOSECOND LASER | EXCITED TRIPLET DIPHENYLCARBENE | CARBENES | MULTIDISCIPLINARY SCIENCES | ULTRAFAST | 5-DIAZO MELDRUMS ACID | DYNAMICS | FORCE-FIELD | SINGLET
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 03/2018, Volume 24, Issue 14, pp. 3344 - 3344
Invited for the cover of this issue is the group of Elsa Sanchez‐Garcia at the Universität Duisburg‐Essen and Stefan M. Huber at the Ruhr‐University Bochum.... 
Salts | Crystal structure
Journal Article
The Journal of organic chemistry, ISSN 0022-3263, 07/2019, Volume 84, Issue 18, pp. 11450 - 11457
We investigate the effects of small admixtures of protic solvent molecules, such as water and alcohols, on the ultrafast dynamics of diphenylcarbene in... 
Journal Article
ChemPhysChem, ISSN 1439-4235, 07/2019, Volume 20, Issue 13, pp. 1663 - 1663
The front cover artwork is provided by the groups of Prof. Wolfram Sander (Ruhr‐Universität Bochum) and Prof. Elsa Sanchez‐Garcia (University of... 
Dynamic structural analysis | Solvents
Journal Article
Tetrahedron, ISSN 0040-4020, 07/2012, Volume 68, Issue 27-28, pp. 5631 - 5636
An environmentally friendly approach to the diastereoselective synthesis of -4-oxo-3-aryl-3,4-dihydro-2 -furo[3,2- ]coumarin-2-carbonitriles,... 
Ionic liquids | Domino reactions | Multicomponent reactions | Furo[3,2-c]coumarins | Hydroxycoumarins | Tetrahedrons | Synthesis | Catalysts | Aldehydes
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 04/2015, Volume 11, Issue 4, pp. 1809 - 1818
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 02/2016, Volume 138, Issue 5, pp. 1689 - 1697
The interactions between diphenylcarbene DPC and the halogen bond donors CF3I and CF3Br were investigated using matrix isolation spectroscopy (IR, UV-vis, and... 
TRIPLET | CARBENES | KINETICS | CF3I | DIPHENYLMETHYLENE | COMPLEXES | DYNAMICS | CHEMISTRY | PHOTOLYSIS | CHEMISTRY, MULTIDISCIPLINARY | C-X | Molecular mechanics | Analysis | Research | Chemical properties | Hydrogen bonding | Biphenyl compounds | Quantum theory
Journal Article
Journal Article
ChemPhysChem, ISSN 1439-4235, 07/2019, Volume 20, Issue 13, pp. 1661 - 1661
The Front Cover the structure of a cyclic tetrapeptide in solution. The dynamics of the peptide in explicit solvent was investigated using several... 
cyclic peptides | Replica Exchange Molecular Dynamics | NMR spectroscopy | Quantum Mechanics/Molecular Mechanics | IR spectroscopy
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 03/2018, Volume 24, Issue 14, pp. 3340 - 3340
Haloimidazolium salts have gained importance as halogen‐bond donors—halogen‐based Lewis acids—in many applications including anion recognition and... 
hydrogen bonding | non-covalent interactions | ion pairs | halogen bonding | ion exchange
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2013, Volume 9, Issue 8, pp. 3728 - 3739
Combining fine-grained (FG) all-atom and coarse-grained (CG) systems in a single simulation in a hybrid manner is of immense interest in recent times, owing to... 
DYNAMICS SIMULATIONS | BIOMOLECULAR SIMULATIONS | POLARIZABLE FORCE-FIELD | BETA-HAIRPIN | PROTEIN | FREE-ENERGY LANDSCAPE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SOLVATION MODELS | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATIONS | FREE ENTHALPY | IMPLICIT SOLVENT
Journal Article
Journal of Molecular Modeling, ISSN 1610-2940, 7/2011, Volume 17, Issue 7, pp. 1565 - 1577
Journal Article
Biophysical Journal, ISSN 0006-3495, 01/2014, Volume 106, Issue 2, pp. 413a - 413a
Journal Article
Nachrichten aus der Chemie, ISSN 1439-9598, 10/2017, Volume 65, Issue 10, pp. 992 - 996
Journal Article
Journal of Molecular Modeling, ISSN 1610-2940, 5/2012, Volume 18, Issue 5, pp. 1691 - 1700
Hypoxia inducible factor-1 (HIF-1) is a bHLH-family transcription factor that controls genes involved in glycolysis, angiogenesis, migration, as well as... 
Chemistry | Hypoxia responsive element | Life Sciences, general | Homology modeling | Molecular dynamics | Health Informatics | Molecular Medicine | DNA recognition | Hypoxia-inducible factor-1 | Biomedicine general | Computer Appl. in Life Sciences | Computer Applications in Chemistry | CELLS | INDUCIBLE FACTOR-I | B/HLH/Z DOMAIN | CRYSTAL-STRUCTURE | BIOCHEMISTRY & MOLECULAR BIOLOGY | PROTEIN-PROTEIN DOCKING | TUMOR ANGIOGENESIS | HYPOXIA | CHEMISTRY, MULTIDISCIPLINARY | BREAST-CANCER | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | BIOPHYSICS | DNA-BINDING SPECIFICITIES | ENDOTHELIAL GROWTH-FACTOR | Amino Acid Sequence | Promoter Regions, Genetic | Humans | Amino Acids - chemistry | Molecular Sequence Data | Aryl Hydrocarbon Receptor Nuclear Translocator - chemistry | Saccharomyces cerevisiae Proteins - genetics | Aryl Hydrocarbon Receptor Nuclear Translocator - metabolism | DNA-Binding Proteins - genetics | Vascular Endothelial Growth Factor A - genetics | DNA-Binding Proteins - chemistry | Molecular Dynamics Simulation | Hypoxia - metabolism | Vascular Endothelial Growth Factor A - chemistry | Hypoxia - genetics | Hypoxia-Inducible Factor 1, alpha Subunit - metabolism | Water - chemistry | Protein Binding | Hypoxia-Inducible Factor 1, alpha Subunit - chemistry | Response Elements - genetics | Structural Homology, Protein | Binding Sites | Dimerization | Saccharomyces cerevisiae Proteins - chemistry | Phosphates | Computer simulation | Peptides | Endothelial growth factors | Genes | Genetic transcription | Nucleotides | Glucose metabolism | Computer-generated environments | Analysis | DNA | Chemical properties | Vascular endothelial growth factor | Blood proteins
Journal Article
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