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  • Currently displaying 14681 - 14700 of 30706 publications
Author(s)
Publication title
Journal Name
Publication year
Electronic effects on the melting of small gallium clusters.
KG Steenbergen, D Schebarchov, N Gaston
Journal of Chemical Physics
(2012)
137
Small-molecule inhibitors of the interaction between the E3 ligase VHL and HIF1α.
DL Buckley, JL Gustafson, I Van Molle, AG Roth, HS Tae, PC Gareiss, WL Jorgensen, A Ciulli, CM Crews
Angew Chem Int Ed Engl
(2012)
51
Intramolecular nitrone dipolar cycloadditions: Control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids
AJ Hodges, JP Adams, AD Bond, AB Holmes, NJ Press, SD Roughley, JH Ryan, S Saubern, CJ Smith, MD Turnbull, AF Newton
Organic and Biomolecular Chemistry
(2012)
10
Connecting macroscopic observables and microscopic assembly events in amyloid formation using coarse grained simulations.
NS Bieler, TPJ Knowles, D Frenkel, R Vácha
Plos Computational Biology
(2012)
8
Excitonic coupling in linear and trefoil trimer perylenediimide molecules probed by single-molecule spectroscopy.
H Yoo, S Furumaki, J Yang, J-E Lee, H Chung, T Oba, H Kobayashi, B Rybtchinski, TM Wilson, MR Wasielewski, M Vacha, D Kim
The journal of physical chemistry. B
(2012)
116
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian.
F Lipparini, C Cappelli, G Scalmani, N De Mitri, V Barone
Journal of chemical theory and computation
(2012)
8
Rapid formation of secondary organic aerosol from the photolysis of 1-nitronaphthalene: role of naphthoxy radical self-reaction.
RM Healy, Y Chen, I Kourtchev, M Kalberer, D O'Shea, JC Wenger
Environmental science & technology
(2012)
46
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with hydrocinnamoyl-derivatized PLHSpTA peptide
P Sledz, M Hyvonen, YS Tan, S Lang, D Spring, C Abell, RB Best
(2012)
Twisting transition between crystalline and fibrillar phases of aggregated peptides
TPJ Knowles, A De Simone, AW Fitzpatrick, A Baldwin, S Meehan, L Rajah, M Vendruscolo, ME Welland, CM Dobson, EM Terentjev
Phys Rev Lett
(2012)
109
Aldol reactions catalyzed by L-proline functionalized polymeric nanoreactors in water
A Lu, P Cotanda, JP Patterson, DA Longbottom, RK O'Reilly
Chem Commun (Camb)
(2012)
48
Kinetic control of catalytic CVD for high-quality graphene at low temperatures.
RS Weatherup, B Dlubak, S Hofmann
ACS nano
(2012)
6
Flow microwave technology and microreactors in synthesis
IR Baxendale, C Hornung, SV Ley, J de Mata Muñoz Molina, A Wikström
Australian Journal of Chemistry
(2012)
66
Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide
Y Oh, CW Nickels, F Garcia, W Jones, T Friščić
Crystengcomm
(2012)
14
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds.
KMG O'Connell, HSG Beckmann, L Laraia, HT Horsley, A Bender, AR Venkitaraman, DR Spring
Organic & Biomolecular Chemistry
(2012)
10
A state-to-state dynamical study of the Br + H 2 reaction: Comparison of quantum and classical trajectory results
AN Panda, D Herráez-Aguilar, PG Jambrina, J Aldegunde, SC Althorpe, FJ Aoiz
Phys Chem Chem Phys
(2012)
14
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules
DJ Huggins
Phys Chem Chem Phys
(2012)
14
Dual template synthesis of a highly mesoporous SSZ-13 zeolite with improved stability in the methanol-to-olefins reaction.
L Wu, V Degirmenci, PCMM Magusin, BM Szyja, EJM Hensen
Chem Commun (Camb)
(2012)
48
Spin-Transfer Pathways in Paramagnetic Lithium Transition-Metal Phosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopy and DFT Calculations
RJ Clément, AJ Pell, DS Middlemiss, FC Strobridge, JK Miller, MS Whittingham, L Emsley, CP Grey, G Pintacuda
Journal of the American Chemical Society
(2012)
134
A Highly Compliant Protein Native State with a Spontaneous-like Mechanical Unfolding Pathway
PO Heidarsson, I Valpapuram, C Camilloni, A Imparato, G Tiana, FM Poulsen, BB Kragelund, C Cecconi
Journal of the American Chemical Society
(2012)
134
Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study
D Cleland, GH Booth, C Overy, A Alavi
Journal of Chemical Theory and Computation
(2012)
8