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  • Currently displaying 10361 - 10380 of 29903 publications
Author(s)
Publication title
Journal Name
Publication year
Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids
V Gómez-González, B Docampo-Álvarez, O Cabeza, M Fedorov, RM Lynden-Bell, LJ Gallego, LM Varela
J Chem Phys
(2015)
143
An Orthogonal Biocatalytic Approach for the Safe Generation and Use of HCN in a Multistep Continuous Preparation of Chiral O-Acetylcyanohydrins
S Ley, A Brahma, B Musio, U Ismayilova, N Nikbin, S Kamptmann, P Siegert, G Jeromin, M Pohl
Synlett
(2015)
27
Spectroscopic Characterization of the Bridging Amine in the Active Site of [FeFe] Hydrogenase Using Isotopologues of the H-Cluster.
A Adamska-Venkatesh, S Roy, JF Siebel, TR Simmons, M Fontecave, V Artero, E Reijerse, W Lubitz
J Am Chem Soc
(2015)
137
How to make a porphyrin flip: dynamics of asymmetric porphyrin oligomers
C Shang, JM Philpott, N Bampos, PD Barker, DJ Wales
Physical chemistry chemical physics : PCCP
(2015)
17
Sequence-based Process Modeling of Fluidized Bed Biomass Gasification
H Asadi-Saghandi, A Sheikhi, R Sotudeh-Gharebagh
ACS Sustainable Chemistry & Engineering
(2015)
3
Validation of a homology model of Mycobacterium tuberculosis DXS: rationalization of observed activities of thiamine derivatives as potent inhibitors of two orthologues of DXS
T Masini, B Lacy, L Monjas, D Hawksley, AR de Voogd, B Illarionov, A Iqbal, FJ Leeper, M Fischer, M Kontoyianni, AKH Hirsch
Organic and Biomolecular Chemistry
(2015)
13
China's air pollution reduction efforts may result in an increase in surface ozone levels in highly polluted areas
A Anger, O Dessens, F Xi, T Barker, R Wu
Ambio
(2015)
45
Preparation of highly and generally enriched mammalian tissues for solid state NMR.
VWC Wong, DG Reid, WY Chow, R Rajan, M Green, RA Brooks, MJ Duer
J Biomol NMR
(2015)
63
Molecular mechanism of a specific capsid binder resistance caused by mutations outside the binding pocket.
H Braun, J Kirchmair, MJ Williamson, VA Makarov, OB Riabova, RC Glen, A Sauerbrei, M Schmidtke
Antiviral Research
(2015)
123
Facile, Catalytic Dehydrocoupling of Phosphines Using β-Diketiminate Iron(II) Complexes
AK King, A Buchard, MF Mahon, RL Webster
Chemistry
(2015)
21
An enhanced version of the heat exchange algorithm with excellent energy conservation properties.
P Wirnsberger, D Frenkel, C Dellago
The Journal of Chemical Physics
(2015)
143
Looking for a generic inhibitor of amyloid-like fibril formation among flavone derivatives
T Šneideris, L Baranauskienė, JG Cannon, R Rutkienė, R Meškys, V Smirnovas
PeerJ
(2015)
3
Long-term high frequency measurements of ethane, benzene and methyl chloride at Ragged Point, Barbados: Identification of long-range transport events
AT Archibald, CS Witham, MJ Ashfold, AJ Manning, S O’Doherty, BR Greally, D Young, DE Shallcross
Elementa: Science of the Anthropocene
(2015)
3
AuICl-bound N-heterocyclic carbene ligands form M II 4 (LAuCl)6 integrally gilded cages
WJ Ramsay, JA Foster, KL Moore, TK Ronson, RJ Mirgalet, DA Jefferson, JR Nitschke
Chemical science
(2015)
6
Satellite detection, long‐range transport, and air quality impacts of volcanic sulfur dioxide from the 2014–2015 flood lava eruption at Bárðarbunga (Iceland)
A Schmidt, S Leadbetter, N Theys, E Carboni, CS Witham, JA Stevenson, CE Birch, T Thordarson, S Turnock, S Barsotti, L Delaney, W Feng, RG Grainger, MC Hort, Á Höskuldsson, I Ialongo, E Ilyinskaya, T Jóhannsson, P Kenny, TA Mather, NAD Richards, J Shepherd
Journal of Geophysical Research
(2015)
120
Clarifying the kinetic glass transition
J-P Hansen
Physics World
(2015)
4
Dial-a-molecule workshop: computational prediction of reaction outcomes and optimum synthetic routes
KJ Kilpin, JM Goodman, AP Johnson, RJ Whitby
Chemistry Central Journal
(2015)
9
Subtractive Structural Modifi cation of Morpho Butterfly Wings
Q Shen, J He, M Ni, C Song, L Zhou, H Hu, R Zhang, Z Luo, G Wang, P Tao, T Deng, W Shang
Small (Weinheim an der Bergstrasse, Germany)
(2015)
11
The Synthesis of 3,3-Dimethyl Aza- and Diazaindolines Using a Palladium-Catalysed Intramolecular Reductive Cyclisation
J Day, M Frederickson, C Hogg, C Johnson, A Meek, J Northern, M Reader, G Reid
Synlett
(2015)
26
Order through disorder: entropy strikes back
D Frenkel
Physics World
(2015)
6