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  • Currently displaying 9881 - 9900 of 29856 publications
Author(s)
Publication title
Journal Name
Publication year
Linked coupled cluster Monte Carlo.
RST Franklin, JS Spencer, A Zoccante, AJW Thom
The Journal of chemical physics
(2016)
144
Trigonal (-3) symmetry octahedral lanthanide(III) complexes of zwitterionic tripodal ligands: Luminescence and magnetism
DE Janzen, M Juchum, SR Presow, TK Ronson, W Mohr, R Clérac, HLC Feltham, S Brooker
Supramolecular Chemistry
(2016)
28
Development and Performance of Iron Based Oxygen Carriers Containing Calcium Ferrites for Chemical Looping Combustion and Production of Hydrogen Introduction
M Ismail, W Liu, MT Dunstan, SA Scott
International Journal of Hydrogen Energy
(2016)
41
Explosive Contagion in Networks.
J Gómez-Gardeñes, L Lotero, SN Taraskin, FJ Pérez-Reche
Scientific Reports
(2016)
6
Structure of the Stapled Peptide Bound to Mdm2
YH Lau, Y Wu, M Rossmann, P de Andrade, YS Tan, GJ McKenzie, AR Venkitaraman, M Hyvonen, DR Spring
(2016)
Hofmeister Ion-Induced Changes in Water Structure Correlate with Changes in Solvation of an Aggregated Protein Complex.
TP Light, KM Corbett, MA Metrick, G MacDonald
Langmuir : the ACS journal of surfaces and colloids
(2016)
32
The impact of residential combustion emissions on atmospheric aerosol, human health, and climate
EW Butt, A Rap, A Schmidt, CE Scott, KJ Pringle, CL Reddington, NAD Richards, MT Woodhouse, J Ramirez-Villegas, H Yang, V Vakkari, EA Stone, M Rupakheti, PS Praveen, PG van Zyl, JP Beukes, M Josipovic, EJS Mitchell, SM Sallu, PM Forster, DV Spracklen
Atmospheric Chemistry and Physics
(2016)
16
Time Evolution of the Wettability of Supported Graphene under Ambient Air Exposure.
AI Aria, PR Kidambi, RS Weatherup, L Xiao, JA Williams, S Hofmann
The journal of physical chemistry. C, Nanomaterials and interfaces
(2016)
120
Locating Instantons in Calculations of Tunneling Splittings: The Test Case of Malonaldehyde.
MT Cvitaš, SC Althorpe
J Chem Theory Comput
(2016)
12
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
Organic and Biomolecular Chemistry
(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
SP Black, DM Wood, FB Schwarz, TK Ronson, JJ Holstein, AR Stefankiewicz, CA Schalley, JKM Sanders, JR Nitschke
Chemical science
(2016)
7
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
The total synthesis of K-252c (staurosporinone) via a sequential C-H functionalisation strategy
JC Fox, RE Gilligan, AK Pitts, HR Bennett, MJ Gaunt
Chem Sci
(2016)
7
Seeding approach to crystal nucleation
JR Espinosa, C Vega, C Valeriani, E Sanz
J Chem Phys
(2016)
144
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
Physical chemistry chemical physics : PCCP
(2016)
18
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
Beneficial effects of substituting trivalent ions in the B-site of La0.5Sr0.5Mn1-xAxO3 (A = Al, Ga, Sc) on the thermochemical generation of CO and H2 from CO2 and H2O.
S Dey, BS Naidu, CNR Rao
Dalton Transactions
(2016)
45