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  • Currently displaying 10001 - 10020 of 30872 publications
Author(s)
Publication title
Journal Name
Publication year
Double-layer ice from first principles
J Chen, G Schusteritsch, CJ Pickard, CG Salzmann, A Michaelides
Physical Review B
(2017)
95
Improving Computational Predictions of Single-Stranded RNA Tetramers with Revised α/γ Torsional Parameters for the Amber Force Field
DJ Wales, I Yildirim
The journal of physical chemistry. B
(2017)
121
Identification of Novel Class of TriazoloThiadiazoles as Potent Inhibitors of Human Heparanase and their Anticancer Activity
CP Baburajeev, CD Mohan, S Rangappa, DJ Mason, JE Fuchs, A Bender, U Barash, I Vlodavsky, Basappa, KS Rangappa
BMC cancer
(2017)
17
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
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
Angew Chem Int Ed Engl
(2017)
56
Dipole-Moment Reversal in a Polar Organic Monolayer Probed by Sum and Difference Frequency Spectroscopy
NG Rey, M Sacchi, SJ Jenkins, H Arnolds
The Journal of Physical Chemistry C
(2017)
121
Sequence-selective encapsulation and protection of long peptides by a self-assembled Fe$^\text{II}$$_{8}$L$_{6}$ cubic cage
J Mosquera, B Szyszko, SKY Ho, JR Nitschke
Nature communications
(2017)
8
Study of device instability of bottom-gate ZnO transistors with sol–gel derived channel layers
K Yapabandara, V Mirkhani, MS Sultan, B Ozden, MP Khanal, M Park, S Wang, MC Hamilton, Y Chung, D-J Kim, MH Sk
Journal of Vacuum Science & Technology B Nanotechnology and Microelectronics Materials Processing Measurement and Phenomena
(2017)
35
In silico prediction of chemical subcellular localization via multi-classification methods.
H Yang, X Li, Y Cai, Q Wang, W Li, G Liu, Y Tang
MedChemComm
(2017)
8
Occurrence and geographic distribution of polycyclic aromatic hydrocarbons in agricultural soils in eastern China
Z Sun, J Liu, S Zhuo, Y Chen, Y Zhang, H Shen, X Yun, G Shen, W Liu, EY Zeng, S Tao
Environ Sci Pollut Res Int
(2017)
24
Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems.
VK de Souza, JD Stevenson, SP Niblett, JD Farrell, DJ Wales
The Journal of chemical physics
(2017)
146
Multisite aggregation of p53 and implications for drug rescue
GZ Wang, AR Fersht
Proceedings of the National Academy of Sciences of the United States of America
(2017)
114
Reappraisal of Polytypism in Layered Double Hydroxides: Consequences of Cation Ordering in the Metal Hydroxide Layer
L Pachayappan, S Nagendran, PV Kamath
Crystal Growth & Design
(2017)
17
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi 6 O 3 (O i Pr) 9 (salicylate) 6 ] cages
N Li, R García-Rodríguez, PD Matthews, H-K Luo, DS Wright
Dalton Transactions
(2017)
46
Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?
JJ Shephard, S Ling, GC Sosso, A Michaelides, B Slater, CG Salzmann
The journal of physical chemistry letters
(2017)
8
Targeting low-cost type-II heterostructures: Synthesis, structure and photoreactivity
A Kar, S Sain, D Rossouw, BR Knappett, SK Pradhan, GA Botton, AEH Wheatley
Journal of Alloys and Compounds
(2017)
698
DESolution of CD and CB Macrocycles
JA McCune, S Kunz, M Olesińska, OA Scherman
Chemistry
(2017)
23
Phenanthroline-fluorescein molecular hybrid as a ratiometric and selective fluorescent chemosensor for Cu2+viaFRET strategy: synthesis, computational studies andin vitroapplications
S Mondal, SK Manna, K Maiti, R Maji, SS Ali, S Manna, S Mandal, R Uddin, AK Mahapatra
Supramolecular Chemistry
(2017)
29
The small heat shock proteins αB-crystallin (HSPB5) and Hsp27 (HSPB1) inhibit the intracellular aggregation of α-synuclein
D Cox, H Ecroyd
Cell stress & chaperones
(2017)
22
Concordance analysis of microarray studies identifies representative gene expression changes in Parkinson's disease: a comparison of 33 human and animal studies.
E Oerton, A Bender
BMC Neurol
(2017)
17