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  • Currently displaying 11721 - 11740 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding
YS Al-Hamdani, D Alfè, OA von Lilienfeld, A Michaelides
Journal of Chemical Physics
(2014)
141
Electrochromic Fiber‐Shaped Supercapacitors
X Chen, H Lin, J Deng, Y Zhang, X Sun, P Chen, X Fang, Z Zhang, G Guan, H Peng
Advanced materials (Deerfield Beach, Fla.)
(2014)
26
A Nanoplasmonic-Fluorescent Ruler for Detection of Site-Specific Protein Binding to Composite DNA of Multiple Sites
S Lukman, L Sutarlie, N Li, X Su
Particle & Particle Systems Characterization
(2014)
31
MitoBlue: A Nontoxic and Photostable Blue-Emitting Dye That Selectively Labels Functional Mitochondria
MI Sánchez, J Martínez-Costas, JL Mascareñas, ME Vázquez
ACS Chemical Biology
(2014)
9
Nickel-catalyzed reductive methylation of alkyl halides and acid chlorides with methyl p-tosylate.
Z Liang, W Xue, K Lin, H Gong
Organic Letters
(2014)
16
Homogeneous ice nucleation evaluated for several water models
JR Espinosa, E Sanz, C Valeriani, C Vega
The Journal of Chemical Physics
(2014)
141
Modelling non-adiabatic effects in ${\rm H}_3^+$H3+: Solution of the rovibrational Schrödinger equation with motion-dependent masses and mass surfaces
E Mátyus, T Szidarovszky, AG Császár
J Chem Phys
(2014)
141
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
Electric transition dipole moment in pre-Born-Oppenheimer molecular structure theory.
B Simmen, E Mátyus, M Reiher
J Chem Phys
(2014)
141
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
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
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
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
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
Room Temperature Ferrimagnetism and Ferroelectricity in Strained, Thin Films of BiFe0.5Mn0.5O3.
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
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
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
Proc Natl Acad Sci U S A
(2014)
111
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
Environmental science and pollution research international
(2014)
22
Structure Prediction for Multicomponent Materials Using Biminima
D Schebarchov, DJ Wales
Physical review letters
(2014)
113