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Currently displaying 12741 - 12760 of 30872 publications

Homogeneous ice nucleation evaluated for several water models.

JR Espinosa, E Sanz, C Valeriani, C Vega

The Journal of chemical physics

(2014)

141

18C529

(doi: 10.1063/1.4897524)

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)

2742

(doi: 10.1021/cb500552f)

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

The Journal of chemical physics

(2014)

141

154111

(doi: 10.1063/1.4897566)

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)

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)

556

(doi: 10.1016/j.atmosenv.2014.10.030)

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

B Simmen, E Mátyus, M Reiher

The Journal of chemical physics

(2014)

141

154105

(doi: 10.1063/1.4897632)

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)

6706

(doi: 10.1021/bi500909d)

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

J Biol Chem

(2014)

289

34296

(doi: 10.1074/jbc.m114.601104)

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)

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)

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)

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

(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)

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

Environmental science and pollution research international

(2014)

148

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

Structure prediction for multicomponent materials using biminima.

D Schebarchov, DJ Wales

Phys Rev Lett

(2014)

113

156102

(doi: 10.1103/physrevlett.113.156102)