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- Currently displaying 11421 - 11440 of 29877 publications
Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding
The Journal of Chemical Physics
(2014)
141
18C530
(doi: 10.1063/1.4898356)
Homogeneous ice nucleation evaluated for several water models.
J Chem Phys
(2014)
141
18C529
(doi: 10.1063/1.4897524)
Nickel-Catalyzed Reductive Methylation of Alkyl Halides and Acid Chlorides with Methyl p‑Tosylate
Org Lett
(2014)
16
5620
(doi: 10.1021/ol502682q)
MitoBlue: a nontoxic and photostable blue-emitting dye that selectively labels functional mitochondria.
ACS Chemical Biology
(2014)
9
2742
(doi: 10.1021/cb500552f)
Modelling non-adiabatic effects in ${\rm H}_3^+$H3+: Solution of the rovibrational Schrödinger equation with motion-dependent masses and mass surfaces
J Chem Phys
(2014)
141
154111
(doi: 10.1063/1.4897566)
Cooperative Interplay of van der Waals Forces and Quantum Nuclear Effects on Adsorption: H at Graphene and at Coronene
ACS nano
(2014)
8
9905
(doi: 10.1021/nn505578x)
Electric transition dipole moment in pre-Born-Oppenheimer molecular structure theory
Journal of Chemical Physics
(2014)
141
154105
(doi: 10.1063/1.4897632)
Airborne measurements of HC(O)OH in the European Arctic: A winter - summer comparison
Atmospheric Environment
(2014)
99
556
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 *
The Journal of biological chemistry
(2014)
289
34296
(doi: 10.1074/jbc.M114.601104)
Binding hotspots of BAZ2B bromodomain: Histone interaction revealed by solution NMR driven docking.
Biochemistry
(2014)
53
6706
(doi: 10.1021/bi500909d)
The CamSol method of rational design of protein mutants with enhanced solubility.
Journal of molecular biology
(2014)
427
478
(doi: 10.1016/j.jmb.2014.09.026)
Room Temperature Ferrimagnetism and Ferroelectricity in Strained, Thin Films of BiFe0.5Mn0.5O3
Advanced functional materials
(2014)
24
7478
(doi: 10.1002/adfm.201401464)
Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework
Crystengcomm
(2014)
17
361
(doi: 10.1039/c4ce01572j)
A mild, copper-catalysed amide deprotection strategy: use of tert-butyl as a protecting group
Tetrahedron
(2014)
70
7593
(doi: 10.1016/j.tet.2014.07.080)
Interplay between partner and ligand facilitates the folding and binding of an intrinsically disordered protein.
Proceedings of the National Academy of Sciences of the United States of America
(2014)
111
15420
(doi: 10.1073/pnas.1409122111)
The influence of physical state on shikimic acid ozonolysis: a case for in situ microspectroscopy
Atmospheric Chemistry and Physics
(2014)
14
10761
(doi: 10.5194/acp-14-10761-2014)
Conclusions of the Worldwide Integrated Assessment on the risks of neonicotinoids and fipronil to biodiversity and ecosystem functioning
Environ Sci Pollut Res Int
(2014)
22
148
(doi: 10.1007/s11356-014-3229-5)
Structure prediction for multicomponent materials using biminima.
Physical review letters
(2014)
113
156102
Tailoring Transient‐Amorphous States: Towards Fast and Power‐Efficient Phase‐Change Memory and Neuromorphic Computing
Adv Mater
(2014)
26
7493
(doi: 10.1002/adma.201402696)