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  • Currently displaying 10181 - 10200 of 31132 publications
Author(s)
Publication title
Journal Name
Publication year
In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods
H Du, Y Cai, H Yang, H Zhang, Y Xue, G Liu, Y Tang, W Li
Chemical research in toxicology
(2017)
30
Investigating the role of boundary bricks in DNA brick self-assembly
H Wayment-Steele, D Frenkel, A Reinhardt
(2017)
Fe-catalyzed synthesis of (4Z)-alkenoates
RN Shakhmaev, AS Sunagatullina, VV Zorin
Russian Journal of General Chemistry
(2017)
87
Is CuII Coordinated to Patellamides inside Prochloron Cells?
P Comba, A Eisenschmidt, LR Gahan, D-P Herten, G Nette, G Schenk, M Seefeld
Chemistry – A European Journal
(2017)
23
Projector Quantum Monte Carlo Method for Nonlinear Wave Functions.
LR Schwarz, A Alavi, GH Booth
Physical review letters
(2017)
118
Amyloid fibril systems reduce, stabilize and deliver bioavailable nanosized iron.
Y Shen, L Posavec, S Bolisetty, FM Hilty, G Nyström, J Kohlbrecher, M Hilbe, A Rossi, J Baumgartner, MB Zimmermann, R Mezzenga
Nature nanotechnology
(2017)
12
Metadynamic metainference: Convergence towards force field independent structural ensembles of a disordered peptide.
T Löhr, A Jussupow, C Camilloni
The Journal of chemical physics
(2017)
146
Structure of the Fundamental Lipopeptide Surfactin at the Air/Water Interface Investigated by Sum Frequency Generation Spectroscopy
SA Goussous, MTL Casford, AC Murphy, GPC Salmond, FJ Leeper, PB Davies
The Journal of Physical Chemistry B
(2017)
121
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks.
B Vlaisavljevich, J Huck, Z Hulvey, K Lee, JA Mason, JB Neaton, JR Long, CM Brown, D Alfè, A Michaelides, B Smit
The Journal of Physical Chemistry A
(2017)
121
Mechanism and Origins of Stereoselectivity in the Cinchona Thiourea- and Squaramide-Catalyzed Asymmetric Michael Addition of Nitroalkanes to Enones
MN Grayson
Journal of Organic Chemistry
(2017)
82
Direct radiative effect of carbonaceous aerosols from crop residue burning during the summer harvest season in East China
H Yao, Y Song, M Liu, S Archer-Nicholls, D Lowe, G McFiggans, T Xu, P Du, J Li, Y Wu, M Hu, C Zhao, T Zhu
Atmospheric Chemistry and Physics
(2017)
17
Metal-Organic Nanosheets Formed via Defect-Mediated Transformation of a Hafnium Metal-Organic Framework.
MJ Cliffe, E Castillo-Martínez, Y Wu, J Lee, AC Forse, FCN Firth, PZ Moghadam, D Fairen Jimenez, MW Gaultois, JA Hill, OV Magdysyuk, B Slater, AL Goodwin, CP Grey
J Am Chem Soc
(2017)
139
Inside Cover: Gas‐Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2O3)1–6AlO2− (ChemPhysChem 8/2017)
X Song, MR Fagiani, S Gewinner, W Schöllkopf, KR Asmis, FA Bischoff, F Berger, J Sauer
ChemPhysChem
(2017)
18
Water-Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111)
ML Liriano, C Gattinoni, EA Lewis, CJ Murphy, ECH Sykes, A Michaelides
J Am Chem Soc
(2017)
139
The role of cracks in the crystal nucleation process of amorphous griseofulvin
JF Willart, E Dudognon, A Mahieu, M Eddleston, W Jones, M Descamps
The European Physical Journal Special Topics
(2017)
226
Emerging approaches to stabilise photocorrodible electrodes and catalysts for solar fuel applications
M Crespo-Quesada, E Reisner
Energy & Environmental Science
(2017)
10
Frontispiz: Ein achtkerniger metallosupramolekularer Würfel mit Spin‐Crossover‐Eigenschaften
N Struch, C Bannwarth, TK Ronson, Y Lorenz, B Mienert, N Wagner, M Engeser, E Bill, R Puttreddy, K Rissanen, J Beck, S Grimme, JR Nitschke, A Lützen
Angewandte Chemie
(2017)
129
Frontispiece: An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin‐Crossover Behavior
N Struch, C Bannwarth, TK Ronson, Y Lorenz, B Mienert, N Wagner, M Engeser, E Bill, R Puttreddy, K Rissanen, J Beck, S Grimme, JR Nitschke, A Lützen
Angewandte Chemie International Edition
(2017)
56
Photoelectrochemical Oxygen Evolution Reaction Activity of Amorphous Co-La Double Hydroxide-BiVO4 Fabricated by Pulse Plating Electrodeposition
M Chhetri, S Dey, CNR Rao
ACS Energy Letters
(2017)
2
Fine Tuning Classical and Quantum Molecular Dynamics using a Generalized Langevin Equation
M Rossi, V Kapil, M Ceriotti
(2017)