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  • Currently displaying 11421 - 11440 of 29877 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
The Journal of Chemical Physics
(2014)
141
Homogeneous ice nucleation evaluated for several water models.
JR Espinosa, E Sanz, C Valeriani, C Vega
J Chem Phys
(2014)
141
Nickel-Catalyzed Reductive Methylation of Alkyl Halides and Acid Chlorides with Methyl p‑Tosylate
Z Liang, W Xue, K Lin, H Gong
Org Lett
(2014)
16
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
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
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
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
The CamSol method of rational design of protein mutants with enhanced solubility.
P Sormanni, FA Aprile, M Vendruscolo
Journal of molecular biology
(2014)
427
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
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
A mild, copper-catalysed amide deprotection strategy: use of tert-butyl as a protecting group
V Evans, MF Mahon, RL Webster
Tetrahedron
(2014)
70
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
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
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
Adv Mater
(2014)
26