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  • Currently displaying 12381 - 12400 of 29290 publications
Author(s)
Publication title
Journal Name
Publication year
Replica-Averaged Metadynamics
C Camilloni, A Cavalli, M Vendruscolo
J Chem Theory Comput
(2013)
9
Fine Structure in NMR Correlation Spectroscopy
R Freeman, L Mcintyre
Israel Journal of Chemistry
(2013)
32
Analytic Second Derivatives of the Potential Energy Surface
NC Handy, DJ Tozer, GJ Laming, CW Murray, RD Amos
Israel Journal of Chemistry
(2013)
33
Hapten Design for Antibody‐Catalyzed Decarboxylation and Ring‐Opening Reactions of Benzisoxazoles
MV Sergeeva, V Yomtova, A Parkinson, M Overgaauw, R Pomp, A Schots, AJ Kirby, R Hilhorst
Israel Journal of Chemistry
(2013)
36
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
BONE MINERALIZATION Water brings order
M Duer, A Veis
Nature Materials
(2013)
12
Reversal of facial selectivity in a thia-Claisen rearrangement by incorporation of a vinylic bromine substituent
AR Ellwood, AJP Mortimer, JM Goodman, MJ Porter
Organic & Biomolecular Chemistry
(2013)
11
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 : the ACS journal of surfaces and colloids
(2013)
29
Modular Isoquinoline Synthesis Using Catalytic Enolate Arylation and in Situ Functionalization
BS Pilgrim, AE Gatland, CT McTernan, PA Procopiou, TJ Donohoe
Organic letters
(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
Analysis of the Rotational–Vibrational States of the Molecular Ion H3 +
T Furtenbacher, T Szidarovszky, E Mátyus, C Fábri, AG Császár
Journal of Chemical Theory and Computation
(2013)
9
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
RYB tri-colour electrochromism based on a molecular cobaloxime
MRJ Scherer, NM Muresan, U Steiner, E Reisner
Chem Commun (Camb)
(2013)
49
Free-energy landscape of protein oligomerization from atomistic simulations
A Barducci, M Bonomi, MK Prakash, M Parrinello
Proceedings of the National Academy of Sciences
(2013)
110
High-fidelity stereochemical memory in a FeII4L 4 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
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
Bidirectional Regulation of Halide Binding in a Heterometallic Supramolecular Cube
WJ Ramsay, TK Ronson, JK Clegg, JR Nitschke
Angewandte Chemie
(2013)
125