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- Currently displaying 14681 - 14700 of 30706 publications
Electronic effects on the melting of small gallium clusters.
Journal of Chemical Physics
(2012)
137
144307
(doi: 10.1063/1.4757420)
Small-molecule inhibitors of the interaction between the E3 ligase VHL and HIF1α.
Angew Chem Int Ed Engl
(2012)
51
11463
(doi: 10.1002/anie.201206231)
Intramolecular nitrone dipolar cycloadditions: Control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids
Organic and Biomolecular Chemistry
(2012)
10
8963
(doi: 10.1039/c2ob26333e)
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)
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)
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)
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)
Twisting transition between crystalline and fibrillar phases of aggregated peptides
Phys Rev Lett
(2012)
109
158101
Aldol reactions catalyzed by L-proline functionalized polymeric nanoreactors in water
Chem Commun (Camb)
(2012)
48
9699
(doi: 10.1039/c2cc35170f)
Kinetic control of catalytic CVD for high-quality graphene at low temperatures.
ACS nano
(2012)
6
9996
(doi: 10.1021/nn303674g)
Flow microwave technology and microreactors in synthesis
Australian Journal of Chemistry
(2012)
66
131
(doi: 10.1071/CH12365)
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
Phys Chem Chem Phys
(2012)
14
15106
(doi: 10.1039/c2cp42631e)
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)
Spin-Transfer Pathways in Paramagnetic Lithium Transition-Metal Phosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopy and DFT Calculations
Journal of the American Chemical Society
(2012)
134
17178
(doi: 10.1021/ja306876u)
A Highly Compliant Protein Native State with a Spontaneous-like Mechanical Unfolding Pathway
Journal of the American Chemical Society
(2012)
134
17068
(doi: 10.1021/ja305862m)
Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study
Journal of Chemical Theory and Computation
(2012)
8
4138
(doi: 10.1021/ct300504f)