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- Currently displaying 12741 - 12760 of 29657 publications
Replica-Averaged Metadynamics
Journal of chemical theory and computation
(2013)
9
5610
(doi: 10.1021/ct4006272)
Potential energy landscapes for the 2D XY model: Minima, transition states, and pathways
Journal of Chemical Physics
(2013)
139
(doi: 10.1063/1.4830400)
Understanding the Connection between Epigenetic DNA Methylation and Nucleosome Positioning from Computer Simulations
PLoS Computational Biology
(2013)
9
e1003354
(doi: 10.1371/journal.pcbi.1003354)
Topotactic and Topochemical Conversions of Distyrylpyrazine
Israel Journal of Chemistry
(2013)
18
261
(doi: 10.1002/ijch.197900040)
Combined Diffraction and Density Functional Theory Calculations of Halogen-Bonded Cocrystal Monolayers
Langmuir
(2013)
29
14903
(doi: 10.1021/la402910a)
Analysis of the Rotational-Vibrational States of the Molecular Ion H 3 +
J Chem Theory Comput
(2013)
9
5471
(doi: 10.1021/ct4004355)
Modular Isoquinoline Synthesis Using Catalytic Enolate Arylation and in Situ Functionalization
Org Lett
(2013)
15
6190
(doi: 10.1021/ol4030309)
Light extinction by secondary organic aerosol: an intercomparison of three broadband cavity spectrometers
Atmospheric Measurement Techniques
(2013)
6
3115
(doi: 10.5194/amt-6-3115-2013)
Hydrolysis of Tetraglycine by a Zr(IV)-Substituted Wells-Dawson Polyoxotungstate Studied by Diffusion Ordered NMR Spectroscopy
Journal of Cluster Science
(2013)
25
855
(doi: 10.1007/s10876-013-0664-2)
Free-energy landscape of protein oligomerization from atomistic simulations
Proc Natl Acad Sci U S A
(2013)
110
E4708
(doi: 10.1073/pnas.1320077110)
RYB tri-colour electrochromism based on a molecular cobaloxime.
Chemical Communications
(2013)
49
10453
(doi: 10.1039/c3cc45881d)
High-Fidelity Stereochemical Memory in a Fe4IIL4 Tetrahedral Capsule
Journal of the American Chemical Society
(2013)
135
17999
(doi: 10.1021/ja410117q)
Hsp90 inhibits α-synuclein aggregation by interacting with soluble oligomers
Journal of Molecular Biology
(2013)
425
4614
(doi: 10.1016/j.jmb.2013.08.006)
Bidirectional Regulation of Halide Binding in a Heterometallic Supramolecular Cube
Angewandte Chemie
(2013)
125
13681
(doi: 10.1002/ange.201307478)
Bidirectional regulation of halide binding in a heterometallic supramolecular cube
Angew Chem Int Ed Engl
(2013)
52
13439
(doi: 10.1002/anie.201307478)
Molecular interactions between serum albumin proteins and Keggin type polyoxometalates studied using luminescence spectroscopy.
Phys Chem Chem Phys
(2013)
15
18378
(doi: 10.1039/c3cp52848k)
Non-dissociative activation of chemisorbed dinitrogen on Ni{110} by co-adsorbed lithium
Journal of Chemical Physics
(2013)
139
(doi: 10.1063/1.4829067)
Dual-sugar imaging using isonitrile and azido-based click chemistries.
Org Biomol Chem
(2013)
11
7297
(doi: 10.1039/c3ob41805g)
Selective Isomerization-Hydroformylation Sequence: A Strategy to Valuable α-Methyl-Branched Aldehydes from Terminal Olefins
ACS Catalysis
(2013)
3
2939
(doi: 10.1021/cs400872a)
SPS-assisted preparation of the Magnéli phase WO 2.90 for thermoelectric applications
Journal of Materials Chemistry A
(2013)
1
13050
(doi: 10.1039/c3ta12145c)