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- Currently displaying 12201 - 12220 of 30289 publications
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
Binding hotspots of BAZ2B bromodomain: Histone interaction revealed by solution NMR driven docking.
Biochemistry
(2014)
53
6706
(doi: 10.1021/bi500909d)
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)
Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework
CrystEngComm
(2014)
17
361
(doi: 10.1039/c4ce01572j)
Room temperature ferrimagnetism and ferroelectricity in strained, thin films of BiFe0.5 Mn0.5 O3
Adv Funct Mater
(2014)
24
7478
(doi: 10.1002/adfm.201401464)
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)
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)
Interplay between partner and ligand facilitates the folding and binding of an intrinsically disordered protein.
Proc Natl Acad Sci U S A
(2014)
111
15420
(doi: 10.1073/pnas.1409122111)
Structure Prediction for Multicomponent Materials Using Biminima
Phys Rev Lett
(2014)
113
156102
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)
Tailoring transient-amorphous states: towards fast and power-efficient phase-change memory and neuromorphic computing.
Advanced materials (Deerfield Beach, Fla.)
(2014)
26
7493
(doi: 10.1002/adma.201402696)
Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method.
The Journal of chemical physics
(2014)
141
18C525
(doi: 10.1063/1.4896513)
Nitrogen controlled iron catalyst phase during carbon nanotube growth
Applied Physics Letters
(2014)
105
143111
(doi: 10.1063/1.4897950)
Large-scale density functional theory transition state searching in enzymes
J Phys Chem Lett
(2014)
5
3614
(doi: 10.1021/jz5018703)
Investigating the Solid-Liquid Phase Transition of Water Nanofilms Using the Generalized Replica Exchange Method
The Journal of Chemical Physics
(2014)
141
18C525
(doi: 10.1063/1.4896513.)
Optimizing the selectivity of surface-adsorbing multivalent polymers
Macromolecules
(2014)
47
7496
(doi: 10.1021/ma5014918)
Synthesis and Reactivity of Phosphinocarbyne Complexes
Organometallics
(2014)
34
2165
(doi: 10.1021/om500833n)