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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 13101 - 13120 of 29357 publications
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian
F Lipparini, C Cappelli, G Scalmani, N De Mitri, V Barone
– J Chem Theory Comput
(2012)
8,
4270
(doi: 10.1021/ct300635c)
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,
8963
(doi: 10.1039/c2ob26333e)
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
– J Phys Chem B
(2012)
116,
12878
(doi: 10.1021/jp307394x)
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)
(doi: 10.2210/pdb4e67/pdb)
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
– Environ Sci Technol
(2012)
46,
11813
(doi: 10.1021/es302841j)
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
– Physical Review Letters
(2012)
109,
158101
(doi: 10.1103/physrevlett.109.158101)
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,
9699
(doi: 10.1039/c2cc35170f)
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,
131
(doi: 10.1071/ch12365)
Kinetic control of catalytic CVD for high-quality graphene at low temperatures.
RS Weatherup, B Dlubak, S Hofmann
– ACS nano
(2012)
6,
9996
(doi: 10.1021/nn303674g)
Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide
SY Oh, CW Nickels, F Garcia, W Jones, T Friščić
– CrystEngComm
(2012)
14,
6110
(doi: 10.1039/c2ce25653c)
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,
7545
(doi: 10.1039/c2ob26272j)
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules
DJ Huggins
– Physical chemistry chemical physics : PCCP
(2012)
14,
15106
(doi: 10.1039/c2cp42631e)
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 : PCCP
(2012)
14,
13067
(doi: 10.1039/c2cp41825h)
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,
9492
(doi: 10.1039/c2cc33994c)
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,
17178
(doi: 10.1021/ja306876u)
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,
11073
(doi: 10.1002/anie.201206281)
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,
17068
(doi: 10.1021/ja305862m)
Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study
D Cleland, GH Booth, C Overy, A Alavi
– J Chem Theory Comput
(2012)
8,
4138
(doi: 10.1021/ct300504f)
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,
16906
(doi: 10.1073/pnas.1215060109)
Improved description of soft layered materials with van der Waals density functional theory.
G Graziano, J Klimeš, F Fernandez-Alonso, A Michaelides
– Journal of Physics Condensed Matter
(2012)
24,
424216
(doi: 10.1088/0953-8984/24/42/424216)

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