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  • Currently displaying 12981 - 13000 of 31135 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
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
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
The Journal of Chemical Physics
(2014)
141
In Situ Observations during Chemical Vapor Deposition of Hexagonal Boron Nitride on Polycrystalline Copper
PR Kidambi, R Blume, J Kling, JB Wagner, C Baehtz, RS Weatherup, R Schloegl, BC Bayer, S Hofmann
Chem Mater
(2014)
26
Reversible lnterconversion of CO2 and Formate by a Molybdenum-Containing Formate Dehydrogenase
A Bassegoda, C Madden, DW Wakerley, E Reisner, J Hirst
Journal of the American Chemical Society
(2014)
136
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
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
Journal of Biological Chemistry
(2014)
289
A mild, copper-catalysed amide deprotection strategy: use of tert-butyl as a protecting group
V Evans, MF Mahon, RL Webster
Tetrahedron
(2014)
70
Pyrene-Edged Fe4IIL6 Cages Adaptively Reconfigure During Guest Binding
TK Ronson, AB League, L Gagliardi, CJ Cramer, JR Nitschke
J Am Chem Soc
(2014)
136
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
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
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
Structure Prediction for Multicomponent Materials Using Biminima
D Schebarchov, DJ Wales
Phys Rev Lett
(2014)
113
Optimizing the Selectivity of Surface-Adsorbing Multivalent Polymers.
NB Tito, D Frenkel
Macromolecules
(2014)
47