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  • Currently displaying 12601 - 12620 of 30425 publications
Author(s)
Publication title
Journal Name
Publication year
Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-di­hydro-1,3,4-thia­diazol-2-yl­idene)-4-methyl­benzene­sulfonamide using DFT-D calculations and 13C solid-state NMR
X Li, AD Bond, KE Johansson, J Van de Streek
Acta Crystallogr C Struct Chem
(2014)
70
Strong correlated pinning at high growth rates in YBa2Cu3O7-x thin films with Ba2YNbO6 additions
G Ercolano, M Bianchetti, S-L Sahonta, A Kursumovic, JH Lee, H Wang, JL MacManus-Driscoll
Journal of Applied Physics
(2014)
116
Gibbs, Boltzmann, and negative temperatures
D Frenkel, PB Warren
(2014)
Elevated levels of G-quadruplex formation in human stomach and liver cancer tissues
G Biffi, D Tannahill, J Miller, WJ Howat, S Balasubramanian
PloS one
(2014)
9
The flower of Hibiscus trionum is both visibly and measurably iridescent
S Vignolini, E Moyroud, T Hingant, H Banks, PJ Rudall, U Steiner, BJ Glover
New Phytol
(2014)
205
Photoswitchable precision glycooligomers and their lectin binding.
D Ponader, S Igde, M Wehle, K Märker, M Santer, D Bléger, L Hartmann
Beilstein J Org Chem
(2014)
10
Multichannel quantum defect theory of strontium bound Rydberg states
CL Vaillant, MPA Jones, RM Potvliege
Journal of Physics B Atomic Molecular and Optical Physics
(2014)
47
Reversible Supramolecular Assembly at Specific DNA Sites: Nickel-Promoted Bivalent DNA Binding with Designed Peptide and Bipyridyl-Bis(benzamidine) Components
MI Sánchez, J Mosquera, ME Vázquez, JL Mascareñas
Angewandte Chemie (International ed. in English)
(2014)
53
Choosing RASSCF orbital active spaces for multiple electronic states
F Krausbeck, D Mendive-Tapia, AJW Thom, MJ Bearpark
Computational and Theoretical Chemistry
(2014)
1040
The ionization potential of aqueous hydroxide computed using many-body perturbation theory.
D Opalka, TA Pham, M Sprik, G Galli
The Journal of chemical physics
(2014)
141
Structure, photochemistry and applications of metal-doped polyoxotitanium alkoxide cages
PD Matthews, TC King, DS Wright
Chem Commun (Camb)
(2014)
50
Structure and properties of DNA in apolar solvents
A Arcella, G Portella, R Collepardo-Guevara, D Chakraborty, DJ Wales, M Orozco
The journal of physical chemistry. B
(2014)
118
Corrigendum: One‐Pot Semisynthesis of Exon 1 of the Huntingtin Protein: New Tools for Elucidating the Role of Posttranslational Modifications in the Pathogenesis of Huntington’s Disease
A Ansaloni, Z Wang, JS Jeong, FS Ruggeri, G Dietler, HA Lashuel
Angewandte Chemie International Edition
(2014)
53
Computational Free Energy Methods for Ascertaining Ligand Interaction with Metabolizing Enzymes
MJ Williamson
(2014)
9783527335664
Predicting Toxic Effects of Metabolites
A Bender
(2014)
Cell-secreted flavins bound to membrane cytochromes dictate electron transfer reactions to surfaces with diverse charge and pH.
A Okamoto, S Kalathil, X Deng, K Hashimoto, R Nakamura, KH Nealson
Scientific reports
(2014)
4
Estimating Translational and Orientational Entropies Using the k-Nearest Neighbors Algorithm
DJ Huggins
J Chem Theory Comput
(2014)
10
Easyworm: an open-source software tool to determine the mechanical properties of worm-like chains
G Lamour, JB Kirkegaard, H Li, TP Knowles, J Gsponer
Source Code Biol Med
(2014)
9
Towards the Synthesis of Guanidinate- and Amidinate-Bridged Dimers of Mn and Ni
FA Stokes, L Kloo, PJ Harford, AJ Peel, RJ Less, AEH Wheatley, DS Wright
Australian Journal of Chemistry
(2014)
67
Inclusion of mountain wave-induced cooling for the formation of PSCs over the Antarctic Peninsula in a chemistry–climate model
A Orr, JS Hosking, L Hoffmann, J Keeble, SM Dean, HK Roscoe, NL Abraham, S Vosper, P Braesicke
Atmospheric Chemistry and Physics Discussions
(2014)
14