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  • Currently displaying 12741 - 12760 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
Replica-Averaged Metadynamics
C Camilloni, A Cavalli, M Vendruscolo
Journal of chemical theory and computation
(2013)
9
Potential energy landscapes for the 2D XY model: Minima, transition states, and pathways
D Mehta, C Hughes, M Schröck, DJ Wales
Journal of Chemical Physics
(2013)
139
Understanding the Connection between Epigenetic DNA Methylation and Nucleosome Positioning from Computer Simulations
G Portella, F Battistini, M Orozco
PLoS Computational Biology
(2013)
9
Topotactic and Topochemical Conversions of Distyrylpyrazine
H Nakanishi, GM Parkinson, W Jones, JM Thomas, M Hasegawa
Israel Journal of Chemistry
(2013)
18
Combined Diffraction and Density Functional Theory Calculations of Halogen-Bonded Cocrystal Monolayers
M Sacchi, AY Brewer, SJ Jenkins, JE Parker, T Friščić, SM Clarke
Langmuir
(2013)
29
Analysis of the Rotational-Vibrational States of the Molecular Ion H 3 +
T Furtenbacher, T Szidarovszky, E Mátyus, C Fábri, AG Császár
J Chem Theory Comput
(2013)
9
Modular Isoquinoline Synthesis Using Catalytic Enolate Arylation and in Situ Functionalization
BS Pilgrim, AE Gatland, CT McTernan, PA Procopiou, TJ Donohoe
Org Lett
(2013)
15
Light extinction by secondary organic aerosol: an intercomparison of three broadband cavity spectrometers
RM Varma, SM Ball, T Brauers, H-P Dorn, U Heitmann, RL Jones, U Platt, D Pöhler, AA Ruth, AJL Shillings, J Thieser, A Wahner, DS Venables
Atmospheric Measurement Techniques
(2013)
6
Hydrolysis of Tetraglycine by a Zr(IV)-Substituted Wells-Dawson Polyoxotungstate Studied by Diffusion Ordered NMR Spectroscopy
K Stroobants, G Absillis, PS Shestakova, R Willem, TN Parac-Vogt
Journal of Cluster Science
(2013)
25
Free-energy landscape of protein oligomerization from atomistic simulations
A Barducci, M Bonomi, MK Prakash, M Parrinello
Proc Natl Acad Sci U S A
(2013)
110
RYB tri-colour electrochromism based on a molecular cobaloxime.
MRJ Scherer, NM Muresan, U Steiner, E Reisner
Chemical Communications
(2013)
49
High-Fidelity Stereochemical Memory in a Fe4IIL4 Tetrahedral Capsule
AM Castilla, N Ousaka, RA Bilbeisi, E Valeri, TK Ronson, JR Nitschke
Journal of the American Chemical Society
(2013)
135
Hsp90 inhibits α-synuclein aggregation by interacting with soluble oligomers
S Daturpalli, CA Waudby, S Meehan, SE Jackson
Journal of Molecular Biology
(2013)
425
Bidirectional Regulation of Halide Binding in a Heterometallic Supramolecular Cube
WJ Ramsay, TK Ronson, JK Clegg, JR Nitschke
Angewandte Chemie
(2013)
125
Bidirectional regulation of halide binding in a heterometallic supramolecular cube
WJ Ramsay, TK Ronson, JK Clegg, JR Nitschke
Angew Chem Int Ed Engl
(2013)
52
Molecular interactions between serum albumin proteins and Keggin type polyoxometalates studied using luminescence spectroscopy.
V Goovaerts, K Stroobants, G Absillis, TN Parac-Vogt
Phys Chem Chem Phys
(2013)
15
Non-dissociative activation of chemisorbed dinitrogen on Ni{110} by co-adsorbed lithium
T Liu, I Temprano, SJ Jenkins, DA King
Journal of Chemical Physics
(2013)
139
Dual-sugar imaging using isonitrile and azido-based click chemistries.
YA Wainman, AA Neves, S Stairs, H Stöckmann, H Ireland-Zecchini, KM Brindle, FJ Leeper
Org Biomol Chem
(2013)
11
Selective Isomerization-Hydroformylation Sequence: A Strategy to Valuable α-Methyl-Branched Aldehydes from Terminal Olefins
P Dydio, M Ploeger, JNH Reek
ACS Catalysis
(2013)
3
SPS-assisted preparation of the Magnéli phase WO 2.90 for thermoelectric applications
G Kieslich, CS Birkel, JE Douglas, M Gaultois, I Veremchuk, R Seshadri, GD Stucky, Y Grin, W Tremel
Journal of Materials Chemistry A
(2013)
1