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- Currently displaying 11541 - 11560 of 29877 publications
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Molecular Physics
(2014)
113
184
(doi: 10.1080/00268976.2014.952696)
Different Fluorophore Labeling Strategies and Designs Affect Millisecond Kinetics of DNA Hairpins
Molecules
(2014)
19
13735
(doi: 10.3390/molecules190913735)
Tackling sampling challenges in biomolecular simulations
Methods in molecular biology (Clifton, N.J.)
(2014)
1215
151
(doi: 10.1007/978-1-4939-1465-4_8)
Ultrafast phase-change logic device driven by melting processes
Proceedings of the National Academy of Sciences of the United States of America
(2014)
111
13272
(doi: 10.1073/pnas.1407633111)
Cys-Scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ
Structure
(2014)
22
1239
(doi: 10.1016/j.str.2014.04.019)
Metal-Free Annulation of Arenes with 2-Aminopyridine Derivatives: The Methyl Group as a Traceless Non-Chelating Directing Group (vol 53, pg 8163, 2014)
Angewandte Chemie International Edition
(2014)
53
9695
(doi: 10.1002/anie.201407501)
Berichtigung: Metallfreie Anellierung von Arenen mit 2‐Aminopyridin‐Derivaten: die Methylgruppe als spurlose nichtchelatisierende dirigierende Gruppe
Angewandte Chemie
(2014)
126
9850
(doi: 10.1002/ange.201407501)
Concise synthesis of substituted quinolizin-4-ones by ring-closing metathesis
European Journal of Organic Chemistry
(2014)
2014
5767
(doi: 10.1002/ejoc.201402648)
Towards an MIE atlas - Definition and role
Toxicology Letters
(2014)
229
S52
(doi: 10.1016/j.toxlet.2014.06.217)
Carbon-Embedded Carbon Nanotubes as Supports of Polymer Electrolyte Membrane Fuel Cell Catalysts
Journal of nanoscience and nanotechnology
(2014)
14
6929
(doi: 10.1166/jnn.2014.8926)
Toxicity prediction using heterogeneous chemical and biological data sources
Toxicology Letters
(2014)
229
s4
(doi: 10.1016/j.toxlet.2014.06.040)
Influence of isoprene chemical mechanism on modelled changes in tropospheric ozone due to climate and land use over the 21st century
Atmospheric Chemistry and Physics Discussions
(2014)
14
22385
(doi: 10.5194/acpd-14-22385-2014)
Surface acidity of 2:1-type dioctahedral clay minerals from first principles molecular dynamics simulations
Geochimica Et Cosmochimica Acta
(2014)
140
410
(doi: 10.1016/j.gca.2014.05.044)
Chiral Gold Nanowires with Boerdijk-Coxeter-Bernal Structure
Journal of the American Chemical Society
(2014)
136
12746
(doi: 10.1021/ja506554j)
Facile method for preparing surface-mounted cucurbit[8]uril-based rotaxanes.
Langmuir : the ACS journal of surfaces and colloids
(2014)
30
10926
(doi: 10.1021/la5026125)
Superposition Enhanced Nested Sampling
Physical Review X
(2014)
4
031034
(doi: 10.1103/physrevx.4.031034)
Interfacial Structure of Soft Matter Probed by SFG Spectroscopy
Chemical record (New York, N.Y.)
(2014)
14
791
(doi: 10.1002/tcr.201402039)
Information-Theoretic Measurements of Coupling between Structure and Dynamics in Glass Formers
Physical review letters
(2014)
113
095703
Regioselective Preparation of Saturated Spirocyclic and Ring-Expanded Fused Pyrazoles
J Org Chem
(2014)
79
8800
(doi: 10.1021/jo501624t)
Kinetic analysis of the multistep aggregation mechanism of monoclonal antibodies
The journal of physical chemistry. B
(2014)
118
10595
(doi: 10.1021/jp505295j)