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  • Currently displaying 12521 - 12540 of 29910 publications
Author(s)
Publication title
Journal Name
Publication year
Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions
X-J Zhang, C Shang, Z-P Liu
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
Understanding the connection between epigenetic DNA methylation and nucleosome positioning from computer simulations.
G Portella, F Battistini, M Orozco
PLoS Computational Biology
(2013)
9
Replica-Averaged Metadynamics
C Camilloni, A Cavalli, M Vendruscolo
J Chem Theory Comput
(2013)
9
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
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 and Biomolecular Chemistry
(2013)
11
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
Water brings order
M Duer, A Veis
Nature Materials
(2013)
12
Approaches to antibody-catalyzed cationic cyclizations: Chemical studies of leaving groups and cyclization modes
C Lawrence, IM Bell, C Abell, FJ Leeper
Israel Journal of Chemistry
(2013)
36
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
Topotactic and Topochemical Conversions of Distyrylpyrazine
H Nakanishi, GM Parkinson, W Jones, JM Thomas, M Hasegawa
Israel Journal of Chemistry
(2013)
18
[Not Available].
T Furtenbacher, T Szidarovszky, E Mátyus, C Fábri, AG Császár
Journal of chemical theory and computation
(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
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
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
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
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 FeII4L 4 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