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  • Currently displaying 12701 - 12720 of 29644 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
Journal of chemical theory and computation
(2013)
9
CuInxGa1-xSe2 as an efficient photocathode for solar hydrogen generation
TJ Jacobsson, C Platzer-Björkman, M Edoff, T Edvinsson
International Journal of Hydrogen Energy
(2013)
38
ANALYTIC 2ND 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
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
Fine Structure in NMR Correlation Spectroscopy
R Freeman, L Mcintyre
Israel Journal of Chemistry
(2013)
32
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
Replica-averaged metadynamics
C Camilloni, A Cavalli, M Vendruscolo
Journal of chemical theory and computation
(2013)
9
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
BONE MINERALIZATION Water brings order
M Duer, A Veis
Nature materials
(2013)
12
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
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
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
RYB tri-colour electrochromism based on a molecular cobaloxime.
MRJ Scherer, NM Muresan, U Steiner, E Reisner
Chemical Communications
(2013)
49
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
High-fidelity stereochemical memory in a Fe(II)4L4 tetrahedral capsule.
AM Castilla, N Ousaka, RA Bilbeisi, E Valeri, TK Ronson, JR Nitschke
Journal of the American Chemical Society
(2013)
135