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- Currently displaying 13601 - 13620 of 30684 publications
Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions
J Chem Theory Comput
(2013)
9
5745
(doi: 10.1021/ct4008475)
Direct β-Functionalization of Cyclic Ketones with Aryl Ketones via the Merger of Photoredox and Organocatalysis
Journal of the American Chemical Society
(2013)
135
18323
(doi: 10.1021/ja410478a)
CuInxGa1-xSe2 as an efficient photocathode for solar hydrogen generation
International Journal of Hydrogen Energy
(2013)
38
15027
Analytic Second Derivatives of the Potential Energy Surface
Israel Journal of Chemistry
(2013)
33
331
(doi: 10.1002/ijch.199300040)
Hapten Design for Antibody‐Catalyzed Decarboxylation and Ring‐Opening Reactions of Benzisoxazoles
Israel Journal of Chemistry
(2013)
36
177
(doi: 10.1002/ijch.199600024)
Fine Structure in NMR Correlation Spectroscopy
Israel Journal of Chemistry
(2013)
32
231
(doi: 10.1002/ijch.199200030)
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)
Replica-Averaged Metadynamics.
Journal of Chemical Theory and Computation
(2013)
9
5610
(doi: 10.1021/ct4006272)
Reversal of facial selectivity in a thia-Claisen rearrangement by incorporation of a vinylic bromine substituent
Organic & Biomolecular Chemistry
(2013)
11
7530
(doi: 10.1039/c3ob41580e)
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 +
Journal of chemical theory and computation
(2013)
9
5471
(doi: 10.1021/ct4004355)
Modular Isoquinoline Synthesis Using Catalytic Enolate Arylation and in Situ Functionalization
Organic Letters
(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)
RYB tri-colour electrochromism based on a molecular cobaloxime
Chem Commun (Camb)
(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)