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Currently displaying 11021 - 11040 of 29475 publications

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)

9905

(doi: 10.1021/nn505578x)

Electric transition dipole moment in pre-Born-Oppenheimer molecular structure theory.

B Simmen, E Mátyus, M Reiher

– J Chem Phys

(2014)

141,

154105

(doi: 10.1063/1.4897632)

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, SJB Bauguitte, JA Pyle, CJ Percival

– Atmospheric Environment

(2014)

99,

556

(doi: 10.1016/j.atmosenv.2014.10.030)

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

– Journal of Biological Chemistry

(2014)

289,

34296

(doi: 10.1074/jbc.M114.601104)

An experimental-theoretical atomic-scale study - in situ analysis of III–V on Si(100) growth for hybrid solar cells

O Supplie, S Bruckner, O Romanyuk, MM May, H Doscher, P Kleinschmidt, H Stange, A Dobrich, C Hohn, HJ Lewerenz, F Grosse, T Hannappel

– 2014 IEEE 40th Photovoltaic Specialist Conference Pvsc 2014

(2014)

115,

2797

(doi: 10.1109/PVSC.2014.6925510)

Higher doses of (+)MK-801 (dizocilpine) induced mortality and procedural but not cognitive deficits in delayed testing in the active place avoidance with reversal on the carousel

V Lobellová, E Brichtová, T Petrásek, K Valeš, A Stuchlík

– Physiological Research

(2014)

64,

269

(doi: 10.33549/physiolres.932832)

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,

(doi: 10.1016/j.ssi.2014.06.019)

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,

6706

(doi: 10.1021/bi500909d)

The CamSol Method of Rational Design of Protein Mutants with Enhanced Solubility

P Sormanni, FA Aprile, M Vendruscolo

– J Mol Biol

(2014)

427,

478

(doi: 10.1016/j.jmb.2014.09.026)

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

– Advanced functional materials

(2014)

24,

7478

(doi: 10.1002/adfm.201401464)

A mild, copper-catalysed amide deprotection strategy: use of tert-butyl as a protecting group

V Evans, MF Mahon, RL Webster

– Tetrahedron

(2014)

70,

7593

(doi: 10.1016/j.tet.2014.07.080)

Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework

SJ Hunt, MJ Cliffe, JA Hill, AB Cairns, NP Funnell, AL Goodwin

– Crystengcomm

(2014)

17,

361

(doi: 10.1039/c4ce01572j)

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 of the United States of America

(2014)

111,

15420

(doi: 10.1073/pnas.1409122111)

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,

10761

(doi: 10.5194/acp-14-10761-2014)

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,

148

(doi: 10.1007/s11356-014-3229-5)

Structure prediction for multicomponent materials using biminima.

D Schebarchov, DJ Wales

– Physical review letters

(2014)

113,

156102

(doi: 10.1103/PhysRevLett.113.156102)