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  • Currently displaying 12801 - 12820 of 30935 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
J Chem Phys
(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
Adv Mater
(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 and Particle Systems Characterization
(2014)
31
Advances in Catalytic Enantioselective Fluorination, Mono‑, Di‑, and Trifluoromethylation, and Trifluoromethylthiolation Reactions
X Yang, T Wu, RJ Phipps, FD Toste
Chem Rev
(2014)
115
Homogeneous ice nucleation evaluated for several water models.
JR Espinosa, E Sanz, C Valeriani, C Vega
Journal of Chemical Physics
(2014)
141
MitoBlue: a nontoxic and photostable blue-emitting dye that selectively labels functional mitochondria.
MI Sánchez, J Martínez-Costas, JL Mascareñas, ME Vázquez
ACS Chem Biol
(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
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
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
The Journal of chemical physics
(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
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
J Biol Chem
(2014)
289
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
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
Proc Natl Acad Sci U S A
(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
Environmental Science and Pollution Research
(2014)
22