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- Currently displaying 13061 - 13080 of 30298 publications
The derivative discontinuity of the exchange-correlation functional.
Physical chemistry chemical physics : PCCP
(2014)
16
14378
(doi: 10.1039/c4cp01170h)
Predicting paramagnetic 1H NMR chemical shifts and state-energy separations in spin-crossover host-guest systems
Physical chemistry chemical physics : PCCP
(2014)
16
10620
(doi: 10.1039/c4cp01478b)
Polythiophenes with vinylene linked ortho, meta and para-carborane sidechains
Polym. Chem.
(2014)
5
6190
(doi: 10.1039/c4py00767k)
Stochastic surface walking method for crystal structure and phase transition pathway prediction
Phys. Chem. Chem. Phys.
(2014)
16
17845
(doi: 10.1039/c4cp01485e)
Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle.
Phys Chem Chem Phys
(2014)
16
16573
(doi: 10.1039/c4cp01828a)
Targeting a c-MYC G-quadruplex DNA with a fragment library
Chemical communications (Cambridge, England)
(2014)
50
1704
(doi: 10.1039/c3cc48390h)
The Houk–List transition states for organocatalytic mechanisms revisited
Chem. Sci.
(2014)
5
2057
(doi: 10.1039/c3sc53416b)
ERRATUM: Bright-White Beetle Scales Optimise Multiple Scattering of Light
Scientific reports
(2014)
4
(doi: 10.1038/srep07271)
Brønsted acids in ionic liquids: how acidity depends on the liquid structure
Physical chemistry chemical physics : PCCP
(2014)
16
23233
(doi: 10.1039/c4cp03217a)
Synthesis, structure and reactivity of Ni site models of [NiFeSe] hydrogenases.
Dalton Trans.
(2014)
43
4483
(doi: 10.1039/c3dt52967c)
Photoelectrochemical reduction of aqueous protons with a CuO|CuBi 2 O 4 heterojunction under visible light irradiation
Physical chemistry chemical physics : PCCP
(2014)
16
22462
(doi: 10.1039/c4cp03883e)
Supramolecular self-assembled network formation containing N···Br halogen bonds in physisorbed overlayers.
Phys Chem Chem Phys
(2014)
16
19608
(doi: 10.1039/c4cp03379e)
Shallow-tunnelling correction factor for use with Wigner–Eyring transition-state theory
Physical chemistry chemical physics : PCCP
(2014)
16
24292
(doi: 10.1039/c4cp03235g)
Reactivity of C-H bonds of polychlorobenzenes for palladium-catalysed direct arylations with aryl bromides
Catalysis Science and Technology
(2014)
4
352
(doi: 10.1039/c3cy00757j)
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)
Low-power photon upconversion in organic glasses
J. Mater. Chem. C
(2014)
2
2837
(doi: 10.1039/c3tc32473g)
Pre-miRNA expressing plasmid delivery for anti-cancer therapy
Medchemcomm
(2014)
5
459
(doi: 10.1039/c3md00314k)
Comparative mode-of-action analysis following manual and automated phenotype detection inXenopus laevis
Medchemcomm
(2014)
5
386
(doi: 10.1039/c3md00313b)
Identification of orally bioavailable small-molecule inhibitors of hematopoietic prostaglandin D2 synthase using X-ray fragment based drug discovery
Med. Chem. Commun.
(2014)
5
134
(doi: 10.1039/c3md00280b)
Monolayer detection of ion binding at a crown ether-functionalised supramolecular surface via an integrated optical Bragg grating
The Analyst
(2014)
139
2774
(doi: 10.1039/c4an00283k)