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  • Currently displaying 12801 - 12820 of 30921 publications
Author(s)
Publication title
Journal Name
Publication year
Cooperative interplay of van der Waals forces and quantum nuclear effects on adsorption: H at graphene and at coronene.
ERM Davidson, J Klimeš, D Alfè, A Michaelides
ACS nano
(2014)
8
Airborne measurements of HC(O)OH in the European Arctic: A winter - summer comparison
BT Jones, JBA Muller, SJ O'Shea, A Bacak, M Le Breton, TJ Bannan, KE Leather, AM Booth, S Illingworth, K Bower, MW Gallagher, G Allen, DE Shallcross, SJ-B Bauguitte, JA Pyle, CJ Percival
Atmospheric Environment
(2014)
99
Electric transition dipole moment in pre-Born-Oppenheimer molecular structure theory.
B Simmen, E Mátyus, M Reiher
J Chem Phys
(2014)
141
Development of a Novel Azaspirane That Targets the Janus Kinase-Signal Transducer and Activator of Transcription (STAT) Pathway in Hepatocellular Carcinoma in Vitro and in Vivo
CD Mohan, H Bharathkumar, KC Bulusu, V Pandey, S Rangappa, JE Fuchs, MK Shanmugam, X Dai, F Li, A Deivasigamani, KM Hui, AP Kumar, PE Lobie, A Bender, Basappa, G Sethi, KS Rangappa
The Journal of biological chemistry
(2014)
289
Trapping of oxide ions in δ-Bi3YO6
M Krynski, W Wrobel, CE Mohn, JR Dygas, M Malys, F Krok, I Abrahams
Solid State Ionics
(2014)
264
Binding hotspots of BAZ2B bromodomain: Histone interaction revealed by solution NMR driven docking
FM Ferguson, DM Dias, JPGLM Rodrigues, H Wienk, R Boelens, AMJJ Bonvin, C Abell, A Ciulli
Biochemistry
(2014)
53
Room temperature ferrimagnetism and ferroelectricity in strained, thin films of BiFe0.5 Mn0.5 O3
E-M Choi, T Fix, A Kursumovic, CJ Kinane, D Arena, S-L Sahonta, Z Bi, J Xiong, L Yan, J-S Lee, H Wang, S Langridge, Y-M Kim, AY Borisevich, I MacLaren, QM Ramasse, MG Blamire, Q Jia, JL MacManus-Driscoll
Adv Funct Mater
(2014)
24
A mild, copper-catalysed amide deprotection strategy: use of tert-butyl as a protecting group
V Evans, MF Mahon, RL Webster
Tetrahedron
(2014)
70
Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework†Electronic supplementary information (ESI) available: Atomic coordinates and lattice parameter data. CCDC 1016797. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01572jClick here for additional data file.
SJ Hunt, MJ Cliffe, JA Hill, AB Cairns, NP Funnell, AL Goodwin
CrystEngComm
(2014)
17
Interplay between partner and ligand facilitates the folding and binding of an intrinsically disordered protein.
JM Rogers, V Oleinikovas, SL Shammas, CT Wong, D De Sancho, CM Baker, J Clarke
Proceedings of the National Academy of Sciences
(2014)
111
The influence of physical state on shikimic acid ozonolysis: A case for in situ microspectroscopy
SS Steimer, M Lampimäki, E Coz, G Grzinic, M Ammann
Atmospheric Chemistry and Physics
(2014)
14
Conclusions of the Worldwide Integrated Assessment on the risks of neonicotinoids and fipronil to biodiversity and ecosystem functioning.
JP van der Sluijs, V Amaral-Rogers, LP Belzunces, MFIJ Bijleveld van Lexmond, J-M Bonmatin, M Chagnon, CA Downs, L Furlan, DW Gibbons, C Giorio, V Girolami, D Goulson, DP Kreutzweiser, C Krupke, M Liess, E Long, M McField, P Mineau, EAD Mitchell, CA Morrissey, DA Noome, L Pisa, J Settele, N Simon-Delso, JD Stark, A Tapparo, H Van Dyck, J van Praagh, PR Whitehorn, M Wiemers
Environ Sci Pollut Res Int
(2014)
22
Structure prediction for multicomponent materials using biminima.
D Schebarchov, DJ Wales
Physical review letters
(2014)
113
Optimizing the Selectivity of Surface-Adsorbing Multivalent Polymers.
NB Tito, D Frenkel
Macromolecules
(2014)
47
Investigating the Solid-Liquid Phase Transition of Water Nanofilms Using the Generalized Replica Exchange Method
Q Lu, J Kim, JD Farrell, DJ Wales, JE Straub
The Journal of Chemical Physics
(2014)
141
Nitrogen controlled iron catalyst phase during carbon nanotube growth
BC Bayer, C Baehtz, PR Kidambi, RS Weatherup, C Mangler, J Kotakoski, CJL Goddard, S Caneva, A Cabrero-Vilatela, JC Meyer, S Hofmann
Applied Physics Letters
(2014)
105
Tailoring Transient-Amorphous States: Towards Fast and Power-Efficient Phase-Change Memory and Neuromorphic Computing
TH Lee, D Loke, K-J Huang, W-J Wang, SR Elliott
Advanced materials (Deerfield Beach, Fla.)
(2014)
26
Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method
Q Lu, J Kim, JD Farrell, DJ Wales, JE Straub
J Chem Phys
(2014)
141
Large-scale density functional theory transition state searching in enzymes
G Lever, DJ Cole, R Lonsdale, KE Ranaghan, DJ Wales, AJ Mulholland, C-K Skylaris, MC Payne
The Journal of Physical Chemistry Letters
(2014)
5
Synthesis and Reactivity of Phosphinocarbyne Complexes
AL Colebatch, AF Hill, M Sharma
Organometallics
(2014)
34