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- Currently displaying 14581 - 14600 of 30608 publications
Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids
Organic & Biomolecular Chemistry
(2012)
10
8963
(doi: 10.1039/c2ob26333e)
Excitonic coupling in linear and trefoil trimer perylenediimide molecules probed by single-molecule spectroscopy.
The journal of physical chemistry. B
(2012)
116
12878
(doi: 10.1021/jp307394x)
Analytical first and second derivatives for a fully polarizable QM/classical hamiltonian
Journal of Chemical Theory and Computation
(2012)
8
4270
(doi: 10.1021/ct300635c)
Connecting macroscopic observables and microscopic assembly events in amyloid formation using coarse grained simulations.
PLOS Computational Biology
(2012)
8
e1002692
(doi: 10.1371/journal.pcbi.1002692)
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with hydrocinnamoyl-derivatized PLHSpTA peptide
(2012)
(doi: 10.2210/pdb4e67/pdb)
Rapid formation of secondary organic aerosol from the photolysis of 1-nitronaphthalene: role of naphthoxy radical self-reaction.
Environmental science & technology
(2012)
46
11813
(doi: 10.1021/es302841j)
Aldol reactions catalyzed by l -proline functionalized polymeric nanoreactors in water
Chemical Communications
(2012)
48
9699
(doi: 10.1039/c2cc35170f)
Twisting transition between crystalline and fibrillar phases of aggregated peptides
Phys Rev Lett
(2012)
109
158101
Flow Microwave Technology and Microreactors in Synthesis
Australian Journal of Chemistry
(2012)
66
131
(doi: 10.1071/CH12365)
Kinetic control of catalytic CVD for high-quality graphene at low temperatures.
ACS Nano
(2012)
6
9996
(doi: 10.1021/nn303674g)
Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide
CrystEngComm
(2012)
14
6110
(doi: 10.1039/c2ce25653c)
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds
Organic & biomolecular chemistry
(2012)
10
7545
(doi: 10.1039/c2ob26272j)
A state-to-state dynamical study of the Br + H 2 reaction: comparison of quantum and classical trajectory results
Phys Chem Chem Phys
(2012)
14
13067
(doi: 10.1039/c2cp41825h)
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules.
Physical chemistry chemical physics : PCCP
(2012)
14
15106
(doi: 10.1039/c2cp42631e)
Spin-transfer pathways in paramagnetic lithium transition-metal phosphates from combined broadband isotropic solid-state MAS NMR spectroscopy and DFT calculations
J Am Chem Soc
(2012)
134
17178
(doi: 10.1021/ja306876u)
Dual template synthesis of a highly mesoporous SSZ-13 zeolite with improved stability in the methanol-to-olefins reaction.
Chem Commun (Camb)
(2012)
48
9492
(doi: 10.1039/c2cc33994c)
A Highly Compliant Protein Native State with a Spontaneous-like Mechanical Unfolding Pathway
J Am Chem Soc
(2012)
134
17068
(doi: 10.1021/ja305862m)
Taming the first-row diatomics: A full configuration interaction quantum Monte Carlo study
J Chem Theory Comput
(2012)
8
4138
(doi: 10.1021/ct300504f)
Selective RNA Versus DNA G‐Quadruplex Targeting by In Situ Click Chemistry
Angewandte Chemie (International ed. in English)
(2012)
51
11073
(doi: 10.1002/anie.201206281)
Salt anions promote the conversion of HypF-N into amyloid-like oligomers and modulate the structure of the oligomers and the monomeric precursor state.
Journal of Molecular Biology
(2012)
424
132
(doi: 10.1016/j.jmb.2012.09.023)