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  • Currently displaying 12841 - 12860 of 30679 publications
Author(s)
Publication title
Journal Name
Publication year
Gibbs, Boltzmann, and negative temperatures
D Frenkel, PB Warren
(2014)
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 Journal of Organic Chemistry
(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
Choosing RASSCF orbital active spaces for multiple electronic states
F Krausbeck, D Mendive-Tapia, AJW Thom, MJ Bearpark
Computational and Theoretical Chemistry
(2014)
1040-1041
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
The ionization potential of aqueous hydroxide computed using many-body perturbation theory
D Opalka, TA Pham, M Sprik, G Galli
Journal of Chemical Physics
(2014)
141
Structure and properties of DNA in apolar solvents
A Arcella, G Portella, R Collepardo-Guevara, D Chakraborty, DJ Wales, M Orozco
Journal of Physical Chemistry B
(2014)
118
Structure, photochemistry and applications of metal-doped polyoxotitanium alkoxide cages
PD Matthews, TC King, DS Wright
Chemical communications (Cambridge, England)
(2014)
50
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
Journal of chemical theory and computation
(2014)
10
Computational Free Energy Methods for Ascertaining Ligand Interaction with Metabolizing Enzymes
MJ Williamson
(2014)
9783527335664
Predicting Toxic Effects of Metabolites
A Bender
(2014)
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
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
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 for Biology and Medicine
(2014)
9
Scaling theory of electric-field-assisted tunnelling.
TCT Michaels, H Cabrera, DA Zanin, L De Pietro, U Ramsperger, A Vindigni, D Pescia
Proceedings. Mathematical, physical, and engineering sciences
(2014)
470
Synthesis of riboflavines, quinoxalinones and benzodiazepines through chemoselective flow based hydrogenations
M Baumann, IR Baxendale, CH Hornung, SV Ley, MV Rojo, KA Roper
Molecules (Basel, Switzerland)
(2014)
19
Total synthesis of jiadifenolide
I Paterson, M Xuan, SM Dalby
Angew Chem Int Ed Engl
(2014)
53
Rationalization of an unusual solvent-induced inversion of enantiomeric excess in organocatalytic selenylation of aldehydes.
J Burés, P Dingwall, A Armstrong, DG Blackmond
Angewandte Chemie International Edition
(2014)
53