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  • Currently displaying 12821 - 12840 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
ANALYTIC 2ND DERIVATIVES OF THE POTENTIAL-ENERGY SURFACE
NC Handy, DJ Tozer, GJ Laming, CW Murray, RD Amos
Israel Journal of Chemistry
(2013)
33
Bone mineralization: Water brings order.
M Duer, A Veis
Nat Mater
(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
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 : 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
[Not Available].
T Furtenbacher, T Szidarovszky, E Mátyus, C Fábri, AG Császár
Journal of chemical theory and computation
(2013)
9
Living clusters and crystals from low density suspensions of active colloids
BM Mognetti, A Šarić, S Angioletti-Uberti, A Cacciuto, C Valeriani, D Frenkel
(2013)
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
Chem Commun (Camb)
(2013)
49
High-Fidelity Stereochemical Memory in a FeII4L4 Tetrahedral Capsule
AM Castilla, N Ousaka, RA Bilbeisi, E Valeri, TK Ronson, JR Nitschke
J Am Chem Soc
(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
Angew Chem Int Ed Engl
(2013)
52
Bidirectional Regulation of Halide Binding in a Heterometallic Supramolecular Cube
WJ Ramsay, TK Ronson, JK Clegg, JR Nitschke
Angewandte Chemie
(2013)
125
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