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  • Currently displaying 14301 - 14320 of 30310 publications
Author(s)
Publication title
Journal Name
Publication year
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 & biomolecular chemistry
(2012)
10
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 and 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
Chemical communications (Cambridge, England)
(2012)
48
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
Kinetic control of catalytic CVD for high-quality graphene at low temperatures
RS Weatherup, B Dlubak, S Hofmann
ACS nano
(2012)
6
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
Org Biomol Chem
(2012)
10
A state-to-state dynamical study of the Br + H2 reaction: comparison of quantum and classical trajectory results
AN Panda, D Herráez-Aguilar, PG Jambrina, J Aldegunde, SC Althorpe, FJ Aoiz
Physical Chemistry Chemical Physics
(2012)
14
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules
DJ Huggins
Physical Chemistry Chemical Physics
(2012)
14
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
J Am Chem Soc
(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
J Am Chem Soc
(2012)
134
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
Chemical communications (Cambridge, England)
(2012)
48
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
Selective RNA Versus DNA G‐Quadruplex Targeting by In Situ Click Chemistry
M Di Antonio, G Biffi, A Mariani, E-A Raiber, R Rodriguez, S Balasubramanian
Angewandte Chemie (International ed. in English)
(2012)
51
Salt anions promote the conversion of HypF-N into amyloid-like oligomers and modulate the structure of the oligomers and the monomeric precursor state.
S Campioni, B Mannini, JP López-Alonso, IN Shalova, A Penco, E Mulvihill, DV Laurents, A Relini, F Chiti
J Mol Biol
(2012)
424
Improved description of soft layered materials with van der Waals density functional theory.
G Graziano, J Klimeš, F Fernandez-Alonso, A Michaelides
J Phys Condens Matter
(2012)
24
Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2
SM Vogel, MR Bauer, AC Joerger, R Wilcken, T Brandt, DB Veprintsev, TJ Rutherford, AR Fersht, FM Boeckler
Proceedings of the National Academy of Sciences
(2012)
109