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- Currently displaying 12341 - 12360 of 30444 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
J Chem Phys
(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
J Biol Chem
(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 BiFe0.5Mn0.5O3
Advanced functional materials
(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)
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)
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.
Environmental Science and Pollution Research
(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)
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.
The journal of physical chemistry letters
(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.)
Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method
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)
Extended self-assembled long periodicity and Zig-Zag domains from helix-helix diblock copolymer Poly(γ-benzyl-l-glutamate)-block-poly(O-benzyl-l-hydroxyproline).
Biomacromolecules
(2014)
15
3923
(doi: 10.1021/bm5009734)