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  • Currently displaying 11001 - 11020 of 30563 publications
Author(s)
Publication title
Journal Name
Publication year
Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings.
S Martiniani, KJ Schrenk, JD Stevenson, DJ Wales, D Frenkel
Phys Rev E
(2016)
93
A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters
PO Nikiforov, S Surade, M Blaszczyk, V Delorme, P Brodin, AR Baulard, TL Blundell, C Abell
Org Biomol Chem
(2016)
14
Crystal structures of a family of layered coordination polymers containing divalent metal ions (Mn2+, Co2+, Ni2+ and Zn2+) and the 3-amino 4-methyl benzoate ion
MK Khosa, PT Wood, SM Humphrey, WTA Harrison
Journal of Structural Chemistry
(2016)
56
Hamiltonian Dynamics of Protein Filament Formation
TCT Michaels, SIA Cohen, M Vendruscolo, CM Dobson, TPJ Knowles
Physical Review Letters
(2016)
116
Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn 4 L 6 cages
SP Black, DM Wood, FB Schwarz, TK Ronson, JJ Holstein, AR Stefankiewicz, CA Schalley, JKM Sanders, JR Nitschke
Chemical Science
(2016)
7
Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study.
TD Bennett, TK Todorova, EF Baxter, DG Reid, C Gervais, B Bueken, B Van de Voorde, D De Vos, DA Keen, C Mellot-Draznieks
Phys Chem Chem Phys
(2016)
18
The total synthesis of K-252c (staurosporinone)
JC Fox, RE Gilligan, AK Pitts, HR Bennett, MJ Gaunt
Chemical Science
(2016)
7
Seeding approach to crystal nucleation.
JR Espinosa, C Vega, C Valeriani, E Sanz
J Chem Phys
(2016)
144
De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
RG Smock, I Yadid, O Dym, J Clarke, DS Tawfik
Cell
(2016)
164
ChemInform Abstract: Hypervalent Iodine(III) in Direct Oxidative Amination of Arenes with Heteroaromatic Amines.
S Manna, PO Serebrennikova, IA Utepova, AP Antonchick, ON Chupakhin
ChemInform
(2016)
47
New chiral ligands derived from (+) and (-)-α-pinene for the enantioselective addition of diethylzinc to aldehydes
G Frensch, R Labes, CL Wosch, L dos Santos Munaretto, KS Salomé, PG Guerrero, FA Marques
Tetrahedron Letters
(2016)
57
A new <i>Pseudomonas</i> quinolone signal (PQS) binding partner: MexG.
JT Hodgkinson, J Gross, YR Baker, DR Spring, M Welch
Chemical Science
(2016)
7
Beneficial effects of substituting trivalent ions in the B-site of La 0.5 Sr 0.5 Mn 1−x A x O 3 (A = Al, Ga, Sc) on the thermochemical generation of CO and H 2 from CO 2 and H 2 O
S Dey, BS Naidu, CNR Rao
Dalton Transactions
(2016)
45
Editorial January 2016
JKM Sanders
Royal Society Open Science
(2016)
3
Supplementary material to "Future Arctic ozone recovery: the importance of chemistry and dynamics"
EM Bednarz, AC Maycock, NL Abraham, P Braesicke, O Dessens, JA Pyle
(2016)
Future Arctic ozone recovery: the importance of chemistry and dynamics
EM Bednarz, AC Maycock, NL Abraham, P Braesicke, O Dessens, JA Pyle
Atmospheric Chemistry and Physics Discussions
(2016)
On the relation between thermostatted ring-polymer molecular dynamics and exact quantum dynamics
TJH Hele
Molecular Physics
(2016)
114
Controlling Catalyst Bulk Reservoir Effects for Monolayer Hexagonal Boron Nitride CVD.
S Caneva, RS Weatherup, BC Bayer, R Blume, A Cabrero-Vilatela, P Braeuninger-Weimer, M-B Martin, R Wang, C Baehtz, R Schloegl, JC Meyer, S Hofmann
Nano Lett
(2016)
16
Controlling Hydrogen Activation, Spillover, and Desorption with Pd–Au Single-Atom Alloys
FR Lucci, MT Darby, MFG Mattera, CJ Ivimey, AJ Therrien, A Michaelides, M Stamatakis, ECH Sykes
Journal of Physical Chemistry Letters
(2016)
7
Comparative Adsorption of Saturated and Unsaturated Fatty Acids at the Iron Oxide/Oil Interface
MH Wood, MT Casford, R Steitz, A Zarbakhsh, RJL Welbourn, SM Clarke
LANGMUIR
(2016)
32