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- Currently displaying 12081 - 12100 of 29455 publications
ANALYTIC 2ND DERIVATIVES OF THE POTENTIAL-ENERGY SURFACE
– Israel Journal of Chemistry
(2013)
33,
331
(doi: 10.1002/ijch.199300040)
Replica-Averaged Metadynamics
– Journal of Chemical Theory and Computation
(2013)
9,
5610
(doi: 10.1021/ct4006272)
Understanding the connection between epigenetic DNA methylation and nucleosome positioning from computer simulations.
– PLoS Comput Biol
(2013)
9,
e1003354
(doi: 10.1371/journal.pcbi.1003354)
Hapten Design for Antibody‐Catalyzed Decarboxylation and Ring‐Opening Reactions of Benzisoxazoles
– Israel Journal of Chemistry
(2013)
36,
177
(doi: 10.1002/ijch.199600024)
Reversal of facial selectivity in a thia-Claisen rearrangement by incorporation of a vinylic bromine substituent.
– Org Biomol Chem
(2013)
11,
7530
(doi: 10.1039/c3ob41580e)
Approaches to antibody-catalyzed cationic cyclizations: Chemical studies of leaving groups and cyclization modes
– Israel Journal of Chemistry
(2013)
36,
161
(doi: 10.1002/ijch.199600022)
Potential energy landscapes for the 2D XY model: Minima, transition states, and pathways
– Journal of Chemical Physics
(2013)
139,
(doi: 10.1063/1.4830400)
Combined Diffraction and Density Functional Theory Calculations of Halogen-Bonded Cocrystal Monolayers
– Langmuir : the ACS journal of surfaces and colloids
(2013)
29,
14903
(doi: 10.1021/la402910a)
Topotactic and Topochemical Conversions of Distyrylpyrazine
– Israel Journal of Chemistry
(2013)
18,
261
(doi: 10.1002/ijch.197900040)
Modular isoquinoline synthesis using catalytic enolate arylation and in situ functionalization.
– Organic letters
(2013)
15,
6190
(doi: 10.1021/ol4030309)
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)
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)
RYB tri-colour electrochromism based on a molecular cobaloxime
– Chemical Communications
(2013)
49,
10453
(doi: 10.1039/c3cc45881d)
Free-energy landscape of protein oligomerization from atomistic simulations
– Proceedings of the National Academy of Sciences of the United States of America
(2013)
110,
e4708
(doi: 10.1073/pnas.1320077110)
High-Fidelity Stereochemical Memory in a Fe4IIL4 Tetrahedral Capsule
– J Am Chem Soc
(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)
Anti-plasmodial polyvalent interactions in Artemisia annua L. aqueous extract--possible synergistic and resistance mechanisms.
– PLoS One
(2013)
8,
e80790
(doi: 10.1371/journal.pone.0080790)
Bidirectional regulation of halide binding in a heterometallic supramolecular cube
– Angewandte Chemie (International ed. in English)
(2013)
52,
13439
(doi: 10.1002/anie.201307478)