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- Currently displaying 12701 - 12720 of 29644 publications
Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions.
Journal of chemical theory and computation
(2013)
9
5745
(doi: 10.1021/ct4008475)
CuInxGa1-xSe2 as an efficient photocathode for solar hydrogen generation
International Journal of Hydrogen Energy
(2013)
38
15027
ANALYTIC 2ND 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)
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)
Fine Structure in NMR Correlation Spectroscopy
Israel Journal of Chemistry
(2013)
32
231
(doi: 10.1002/ijch.199200030)
Potential energy landscapes for the 2D XY model: Minima, transition states, and pathways
Journal of Chemical Physics
(2013)
139
(doi: 10.1063/1.4830400)
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 and Biomolecular Chemistry
(2013)
11
7530
(doi: 10.1039/c3ob41580e)
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 : the ACS journal of surfaces and colloids
(2013)
29
14903
(doi: 10.1021/la402910a)
Modular Isoquinoline Synthesis Using Catalytic Enolate Arylation and in Situ Functionalization
Organic Letters
(2013)
15
6190
(doi: 10.1021/ol4030309)
Analysis of the Rotational–Vibrational States of the Molecular Ion H3 +
Journal of chemical theory and computation
(2013)
9
5471
(doi: 10.1021/ct4004355)
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.
Chemical Communications
(2013)
49
10453
(doi: 10.1039/c3cc45881d)
Free-energy landscape of protein oligomerization from atomistic simulations.
Proc Natl Acad Sci U S A
(2013)
110
E4708
(doi: 10.1073/pnas.1320077110)
High-fidelity stereochemical memory in a Fe(II)4L4 tetrahedral capsule.
Journal of the American Chemical Society
(2013)
135
17999
(doi: 10.1021/ja410117q)