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- Currently displaying 13021 - 13040 of 30233 publications
Stochastic surface walking method for crystal structure and phase transition pathway prediction
Phys. Chem. Chem. Phys.
(2014)
16
17845
(doi: 10.1039/c4cp01485e)
Predicting paramagnetic 1H NMR chemical shifts and state-energy separations in spin-crossover host-guest systems
Phys Chem Chem Phys
(2014)
16
10620
(doi: 10.1039/c4cp01478b)
The derivative discontinuity of the exchange-correlation functional.
Physical chemistry chemical physics : PCCP
(2014)
16
14378
(doi: 10.1039/c4cp01170h)
Exploring energy landscapes: From molecular to mesoscopic systems
Phys Chem Chem Phys
(2014)
16
5014
(doi: 10.1039/c3cp52603h)
A conformational factorisation approach for estimating the binding free energies of macromolecules
Physical Chemistry Chemical Physics
(2014)
16
2842
(doi: 10.1039/c3cp53537a)
Design of Novel BSA/Hyaluronic Acid Nanodispersions for Transdermal Pharma Purposes
MOLECULAR PHARMACEUTICS
(2014)
11
1479
(doi: 10.1021/mp400657g)
Molecular dynamics simulations of the structure of the graphene–ionic liquid/alkali salt mixtures interface
Phys Chem Chem Phys
(2014)
16
13271
(doi: 10.1039/c4cp00918e)
Variation of sigma-hole magnitude with M valence electron population in MX n Y 4−n molecules ( n = 1–4; M = C, Si, Ge; X, Y = F, Cl, Br)
Phys. Chem. Chem. Phys.
(2014)
16
669
(doi: 10.1039/c3cp53738b)
Disulfide exchange: exposing supramolecular reactivity through dynamic covalent chemistry
Chemical Society reviews
(2014)
43
1861
(doi: 10.1039/c3cs60326a)
Reactivity of C–H bonds of polychlorobenzenes for palladium-catalysed direct arylations with aryl bromides
Catal. Sci. Technol.
(2014)
4
352
(doi: 10.1039/c3cy00757j)
Solid-state photoreactivity of 9-substituted acridizinium bromide salts
CrystEngComm
(2014)
16
10830
(doi: 10.1039/c4ce01622j)
Fac and mer isomers of Ru(ii) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: Structural characterisation and hydrogen-bonding characteristics
Dalton Trans
(2014)
43
71
(doi: 10.1039/c3dt52479e)
Synthesis and structural characterization of a single-crystal to single-crystal transformable coordination polymer
Journal of the Chemical Society Dalton Transactions
(2014)
43
1519
(doi: 10.1039/c3dt52579a)
Synthesis, structure and reactivity of Ni site models of [NiFeSe] hydrogenases.
Dalton transactions (Cambridge, England : 2003)
(2014)
43
4483
(doi: 10.1039/c3dt52967c)
Homo-and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes
Dalton transactions (Cambridge, England : 2003)
(2014)
43
4009
(doi: 10.1039/c3dt53439a)
Novel "3-D spacer" all fibre piezoelectric textiles for energy harvesting applications
Energy and Environmental Science
(2014)
7
1670
(doi: 10.1039/c3ee43987a)
Al-doped ZnO inverse opal networks as efficient electron collectors in BiVO4 photoanodes for solar water oxidation
Energy and Environmental Science
(2014)
7
1402
(doi: 10.1039/c3ee44031a)
The two-step mechanochemical synthesis of porphyrins
Faraday Discussions
(2014)
170
59
(doi: 10.1039/c3fd00140g)
Polymorphism of felodipine co-crystals with 4,4′-bipyridine
CrystEngComm
(2014)
16
6603
(doi: 10.1039/c4ce00756e)
Room temperature hydrophosphination using a simple iron salen pre-catalyst.
Chem. Commun.
(2014)
50
12109
(doi: 10.1039/c4cc06526c)
