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  • Currently displaying 13001 - 13020 of 30244 publications
Author(s)
Publication title
Journal Name
Publication year
Stochastic surface walking method for crystal structure and phase transition pathway prediction.
C Shang, X-J Zhang, Z-P Liu
Physical Chemistry Chemical Physics
(2014)
16
Predicting paramagnetic 1 H NMR chemical shifts and state-energy separations in spin-crossover host–guest systems
WC Isley, S Zarra, RK Carlson, RA Bilbeisi, TK Ronson, JR Nitschke, L Gagliardi, CJ Cramer
Phys Chem Chem Phys
(2014)
16
The derivative discontinuity of the exchange-correlation functional.
P Mori-Sánchez, AJ Cohen
Phys. Chem. Chem. Phys.
(2014)
28
Molecular dynamics simulations of the structure of the graphene-ionic liquid/alkali salt mixtures interface
T Méndez-Morales, J Carrete, M Pérez-Rodríguez, Ó Cabeza, LJ Gallego, RM Lynden-Bell, LM Varela
Physical chemistry chemical physics : PCCP
(2014)
16
Solid-state photoreactivity of 9-substituted acridizinium bromide salts
SA Stratford, M Arhangelskis, D-K Bučar, W Jones
Crystengcomm
(2014)
16
Polymorphism of felodipine co-crystals with 4,4′-bipyridine
AO Surov, KA Solanko, AD Bond, A Bauer-Brandl, GL Perlovich
Crystengcomm
(2014)
16
Room temperature hydrophosphination using a simple iron salen pre-catalyst.
KJ Gallagher, RL Webster
Chem. Commun.
(2014)
50
Polaron stability in semiconducting polymer neat films.
D Beatrup, J Wade, L Biniek, H Bronstein, M Hurhangee, J-S Kim, I McCulloch, JR Durrant
Chem. Commun.
(2014)
50
Proton reduction by molecular catalysts in water under demanding atmospheres.
DW Wakerley, MA Gross, E Reisner
Chem Commun (Camb)
(2014)
50
On the coordination chemistry of phosphinecarboxamide: Assessing ligand basicity
MB Geeson, AR Jupp, JE McGrady, JM Goicoechea
Chemical communications (Cambridge, England)
(2014)
50
Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas
LE Karagiannidis, CJE Haynes, KJ Holder, IL Kirby, SJ Moore, NJ Wells, PA Gale
Chemical communications (Cambridge, England)
(2014)
50
Distance dependent charge separation and recombination in semiconductor/molecular catalyst systems for water splitting
A Reynal, J Willkomm, NM Muresan, F Lakadamyali, M Planells, E Reisner, JR Durrant
Chemical communications (Cambridge, England)
(2014)
50
Chemical biology of genomic DNA: minimizing PCR bias.
GR McInroy, E-A Raiber, S Balasubramanian
Chem. Commun.
(2014)
50
Highly regioselective lithiation of pyridines bearing an oxetane unit by n-butyllithium
G Rouquet, DC Blakemore, SV Ley
Chem. Commun.
(2014)
50
Nitrate anion templated synthesis of a [2]catenane for nitrate recognition in organic-aqueous solvent media.
MJ Langton, PD Beer
Chem. Commun.
(2014)
50
Magnetic, electrochemical and optical properties of a sulfate-bridged Co( ii ) imidazole dimer
MJ Murphy, PM Usov, FJ Rizzuto, CJ Kepert, DM D'Alessandro
New Journal of Chemistry
(2014)
38
Design principles for Bernal spirals and helices with tunable pitch.
SN Fejer, D Chakrabarti, H Kusumaatmaja, DJ Wales
Nanoscale
(2014)
6
Shape-defined nanodimers by tailored heterometallic epitaxy.
CA García-Negrete, TC Rojas, BR Knappett, DA Jefferson, AEH Wheatley, A Fernández
Nanoscale
(2014)
6
Single Si nanowire (diameter ≤ 100 nm) based polarization sensitive near-infrared photodetector with ultra-high responsivity
K Das, S Mukherjee, S Manna, SK Ray, AK Raychaudhuri
Nanoscale
(2014)
6
Investigating peptide sequence variations for 'double-click' stapled p53 peptides.
YH Lau, P de Andrade, N Sköld, GJ McKenzie, AR Venkitaraman, C Verma, DP Lane, DR Spring
Organic & Biomolecular Chemistry
(2014)
12