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Currently displaying 8181 - 8200 of 29547 publications

Acceleration of Convergence to Equilibrium in Markov Chains by Breaking Detailed Balance

M Kaiser, RL Jack, J Zimmer

– J Stat Phys

(2017)

168,

259

(doi: 10.1007/s10955-017-1805-z)

Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks.

B Vlaisavljevich, J Huck, Z Hulvey, K Lee, JA Mason, JB Neaton, JR Long, CM Brown, D Alfè, A Michaelides, B Smit

– J Phys Chem A

(2017)

121,

4139

(doi: 10.1021/acs.jpca.7b00076)

Solar thermochemical splitting of water to generate hydrogen.

CNR Rao, S Dey

– Proceedings of the National Academy of Sciences

(2017)

114,

13385

(doi: 10.1073/pnas.1700104114)

Anion Binding in Water Drives Structural Adaptation in an Azaphosphatrane-Functionalized Fe^II4L4 Tetrahedron.

D Zhang, TK Ronson, J Mosquera, A Martinez, L Guy, JR Nitschke

– Journal of the American Chemical Society

(2017)

139,

6574

(doi: 10.1021/jacs.7b02950)

Synthesis and Electrocatalytic Activity of [FeFe]-Hydrogenase Model Complexes with Non-Innocent Chelating Nitrogen-Donor Ligands

S Roy, JA Laureanti, TL Groy, AK Jones

– European Journal of Inorganic Chemistry

(2017)

2017,

2941

(doi: 10.1002/ejic.201700452)

H-Bond Self-Assembly: Folding versus Duplex Formation.

D Núñez Villanueva, G Iadevaia, AE Stross, MA Jinks, JA Swain, CA Hunter

– J Am Chem Soc

(2017)

139,

6654

(doi: 10.1021/jacs.7b01357)

H-Bond Acceptor Parameters for Anions

SJ Pike, JJ Hutchinson, CA Hunter

– Journal of the American Chemical Society

(2017)

139,

6700

(doi: 10.1021/jacs.7b02008)

Low-power broadband solid-state MAS NMR of

AJ Pell, KJ Sanders, S Wegner, G Pintacuda, CP Grey

– The Journal of chemical physics

(2017)

146,

194202

(doi: 10.1063/1.4983220)

Enhanced Chelate Cooperativity in Polar Solvents.

S Henkel, MC Misuraca, Y Ding, M Guitet, CA Hunter

– J Am Chem Soc

(2017)

139,

6675

(doi: 10.1021/jacs.7b01765)

Topology optimization of microwave waveguide filters

N Aage, V Egede Johansen

– International Journal for Numerical Methods in Engineering

(2017)

112,

283

(doi: 10.1002/nme.5551)

Corrigendum: A brain-sparing diphtheria toxin for chemical genetic ablation of peripheral cell lineages.

MMA Pereira, I Mahú, E Seixas, N Martinéz-Sánchez, N Kubasova, RM Pirzgalska, P Cohen, MO Dietrich, M López, GJL Bernardes, AI Domingos

– Nature communications

(2017)

15673

(doi: 10.1038/ncomms15673)

Onset of meso-scale turbulence in active nematics

A Doostmohammadi, TN Shendruk, K Thijssen, JM Yeomans

– Nature communications

(2017)

15326

(doi: 10.1038/ncomms15326)

Discovery and optimization of 3-(4-aryl/heteroarylsulfonyl)piperazin-1-yl)-6-(piperidin-1-yl)pyridazines as novel, CNS penetrant pan-muscarinic antagonists.

AM Bender, RL Weiner, VB Luscombe, S Ajmera, HP Cho, S Chang, X Zhan, AL Rodriguez, CM Niswender, DW Engers, TM Bridges, PJ Conn, CW Lindsley

– Bioorganic & Medicinal Chemistry Letters

(2017)

27,

3576

(doi: 10.1016/j.bmcl.2017.05.042)