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  • Currently displaying 10681 - 10700 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Relative binding affinities of fluorobenzene ligands in cationic rhodium bisphosphine η6–fluorobenzene complexes probed using collision-induced dissociation
SD Pike, I Pernik, R Theron, JS McIndoe, AS Weller
Journal of Organometallic Chemistry
(2015)
784
ChemInform Abstract: Electrochemical Selenium‐ and Iodonium‐Initiated Cyclization of Hydroxy‐Functionalized 1,4‐Dienes.
P Roese, S Emge, J Yoshida, G Hilt
ChemInform
(2015)
46
Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics
TJH Hele, MJ Willatt, A Muolo, SC Althorpe
J Chem Phys
(2015)
142
Development of high performance poly (ether-ketone) composites based on novel processing technique
J Bijwe, AK Kadiyala, K Kumar, D Puhan, T Parida, P Trivedi
Materials & Design
(2015)
73
Computational Study with DFT and Kinetic Models on the Mechanism of Photoinitiated Aromatic Perfluoroalkylations
VM Fernández-Alvarez, M Nappi, P Melchiorre, F Maseras
Organic letters
(2015)
17
Structure and dynamics of GeoCyp: A thermophilic cyclophilin with a novel substrate binding mechanism that functions efficiently at low temperatures
MJ Holliday, C Camilloni, GS Armstrong, NG Isern, F Zhang, M Vendruscolo, EZ Eisenmesser
Biochemistry
(2015)
54
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application
NS Blunt, SD Smart, JAF Kersten, JS Spencer, GH Booth, A Alavi
The Journal of Chemical Physics
(2015)
142
Conducting Polymer Paper-Based Cathodes for High-Areal-Capacity Lithium-Organic Batteries
Z Wang, C Xu, P Tammela, P Zhang, K Edström, T Gustafsson, M Strømme, L Nyholm
Energy Technology
(2015)
3
Quasi-combinatorial energy landscapes for nanoalloy structure optimisation.
D Schebarchov, DJ Wales
Phys Chem Chem Phys
(2015)
17
The rod domain is not essential for the function of plectin in maintaining tissue integrity
M Ketema, P Secades, M Kreft, L Nahidiazar, H Janssen, K Jalink, JM de Pereda, A Sonnenberg
Mol Biol Cell
(2015)
26
Cover Picture: DNA‐Grafted Supramolecular Polymers: Helical Ribbon Structures Formed by Self‐Assembly of Pyrene–DNA Chimeric Oligomers (Angew. Chem. Int. Ed. 27/2015)
Y Vyborna, M Vybornyi, AV Rudnev, R Häner
Angewandte Chemie International Edition
(2015)
54
Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity.
SJ Cox, SM Kathmann, B Slater, A Michaelides
Journal of Chemical Physics
(2015)
142
Equilibrium molecular thermodynamics from Kirkwood sampling.
S Somani, Y Okamoto, AJ Ballard, DJ Wales
The journal of physical chemistry. B
(2015)
119
Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers.
SJ Cox, SM Kathmann, B Slater, A Michaelides
J Chem Phys
(2015)
142
Discrete multiporphyrin pseudorotaxane assemblies from di- and tetravalent porphyrin building blocks
M Lohse, LKS von Krbek, S Radunz, S Moorthy, CA Schalley, S Hecht
Beilstein J Org Chem
(2015)
11
Communication: Water on hexagonal boron nitride from diffusion Monte Carlo
YS Al-Hamdani, M Ma, D Alfè, OA von Lilienfeld, A Michaelides
J Chem Phys
(2015)
142
Selective Chemical Labeling of Natural T Modifications in DNA.
RE Hardisty, F Kawasaki, AB Sahakyan, S Balasubramanian
Journal of the American Chemical Society
(2015)
137
Targets of drugs are generally, and targets of drugs having side effects are specifically good spreaders of human interactome perturbations
ÁR Perez-Lopez, KZ Szalay, D Türei, D Módos, K Lenti, T Korcsmáros, P Csermely
Scientific reports
(2015)
5
Selective Endo and Exo Binding of Mono‐ and Ditopic Ligands to a Rhomboidal Diporphyrin Prism
G Jayamurugan, DA Roberts, TK Ronson, JR Nitschke
Angewandte Chemie (International ed. in English)
(2015)
54
Selective Endo and Exo Binding of Mono‐ and Ditopic Ligands to a Rhomboidal Diporphyrin Prism
G Jayamurugan, DA Roberts, TK Ronson, JR Nitschke
Angewandte Chemie
(2015)
127