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  • Currently displaying 12821 - 12840 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
Rough passage across a barrier
B Schuler, J Clarke
Nature
(2013)
502
Experimental Confirmation of New Drug–Target Interactions Predicted by Drug Profile Matching
L Végner, Á Peragovics, L Tombor, B Jelinek, P Czobor, A Bender, Z Simon, A Málnási-Csizmadia
J Med Chem
(2013)
56
Cooperative effects in FH/Li•••HCCX•••OH2 complexes (X = F, Cl, Br, H)
SAC McDowell, AD Buckingham
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
(2013)
136
Cyclic Peptides
SR Adusumalli, AK Yudin, V Rai
(2013)
Complex 5d magnetism in a novel S = 1/2 trimer system, the 12L hexagonal perovskite Ba4BiIr3O12.
W Miiller, MT Dunstan, Z Huang, Z Mohamed, BJ Kennedy, M Avdeev, CD Ling
Inorganic chemistry
(2013)
52
Lattice model of mobility at interfaces: Free surfaces, substrates, and bilayers
NB Tito, JEG Lipson, ST Milner
Soft Matter
(2013)
9
Structures of cefradine dihydrate and cefaclor dihydrate from DFT-D calculations
J van de Streek, J Rantanen, AD Bond
Acta Crystallographica Section C: Structural Chemistry
(2013)
69
Enantio­tropically related polymorphs of gaboxadol hydro­chloride
H Lopez de Diego, V Koradia, AD Bond
Acta Crystallographica Section C: Structural Chemistry
(2013)
69
Nanostructure determination from the pair distribution function: a parametric study of the INVERT approach
MJ Cliffe, AL Goodwin
Journal of physics. Condensed matter : an Institute of Physics journal
(2013)
25
Fluorescent lifetime imaging of atmospheric aerosols: a direct probe of aerosol viscosity.
NA Hosny, C Fitzgerald, C Tong, M Kalberer, MK Kuimova, FD Pope
Faraday discussions
(2013)
165
Regional and global impacts of Criegee intermediates on atmospheric sulphuric acid concentrations and first steps of aerosol formation
CJ Percival, O Welz, AJ Eskola, JD Savee, DL Osborn, DO Topping, D Lowe, SR Utembe, A Bacak, G McFiggans, MC Cooke, P Xiao, AT Archibald, ME Jenkin, RG Derwent, I Riipinen, DWK Mok, EPF Lee, JM Dyke, CA Taatjes, DE Shallcross
Faraday Discussions
(2013)
165
Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts
S Liggi, G Drakakis, AE Hendry, KM Hanson, SC Brewerton, GN Wheeler, MJ Bodkin, DA Evans, A Bender
Mol Inform
(2013)
32
Concise Copper-Catalyzed Synthesis of Tricyclic Biaryl Ether-Linked Aza-Heterocyclic Ring Systems
P Mestichelli, MJ Scott, WRJD Galloway, J Selwyn, JS Parker, DR Spring
Organic Letters
(2013)
15
Postclustering dynamic covalent modification for chirality control and chiral sensing.
Y Yang, X-L Pei, Q-M Wang
Journal of the American Chemical Society
(2013)
135
Direct band gap optical emission from compressively strained Ge films grown on relaxed Si0.5Ge0.5 substrate
R Aluguri, S Manna, SK Ray
Applied Physics Letters
(2013)
103
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures.
B Santra, J Klimes, A Tkatchenko, D Alfè, B Slater, A Michaelides, R Car, M Scheffler
Journal of Chemical Physics
(2013)
139
Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water molecules.
K Haider, DJ Huggins
J Chem Inf Model
(2013)
53
Permanent porosity derived from the self-assembly of highly luminescent molecular zinc carbonate nanoclusters.
K Sokołowski, W Bury, I Justyniak, D Fairen-Jimenez, K Sołtys, D Prochowicz, S Yang, M Schröder, J Lewiński
Angewandte Chemie International Edition
(2013)
52
ChemInform Abstract: Pd‐Cu‐Catalyzed Synthesis of N‐(2E,4)‐ and N‐(2Z,4)‐Enyne Cyclic Amines.
AS Sunagatullina, RN Shakhmaev, VV Zorin
ChemInform
(2013)
44
Synthesis of highly basic hexasubstituted biguanides by environmentally friendly methods
D Margetić, M Eckert-Maksić, Z Glasovac, P Trošelj, I Jušinski
Synlett
(2013)
24