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  • Currently displaying 11921 - 11940 of 29636 publications
Author(s)
Publication title
Journal Name
Publication year
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
Journal of Chemical Physics
(2014)
141
Structure, photochemistry and applications of metal-doped polyoxotitanium alkoxide cages.
PD Matthews, TC King, DS Wright
Chemical communications (Cambridge, England)
(2014)
50
Structure and properties of DNA in apolar solvents
A Arcella, G Portella, R Collepardo-Guevara, D Chakraborty, DJ Wales, M Orozco
J Phys Chem B
(2014)
118
Estimating Translational and Orientational Entropies Using the k‑Nearest Neighbors Algorithm
DJ Huggins
J Chem Theory Comput
(2014)
10
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
Sci Rep
(2014)
4
Computational Free Energy Methods for Ascertaining Ligand Interaction with Metabolizing Enzymes
MJ Williamson
(2014)
9783527335664
Predicting Toxic Effects of Metabolites
A Bender
(2014)
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
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
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
Rationalization of an Unusual Solvent-Induced Inversion of Enantio-meric Excess in Organocatalytic Selenylation of Aldehydes
J Burés, P Dingwall, A Armstrong, DG Blackmond
Angewandte Chemie International Edition
(2014)
53
Total synthesis of jiadifenolide
I Paterson, M Xuan, SM Dalby
Angew Chem Int Ed Engl
(2014)
53
Analysis of charged state stability for monoclinic LiMnBO3 Cathode
JC Kim, X Li, CJ Moore, S-H Bo, PG Khalifah, CP Grey, G Ceder
Chemistry of Materials
(2014)
26
Observations of modal interaction in lateral bulk acoustic resonators
J Charmet, R Daly, P Thiruvenkatanathan, J Woodhouse, AA Seshia
Applied Physics Letters
(2014)
105
Toxicity of six plant extracts and two pyridone alkaloids from Ricinus communis against the malaria vector Anopheles gambiae
SW Wachira, S Omar, JW Jacob, M Wahome, HT Alborn, DR Spring, DK Masiga, B Torto
Parasites & vectors
(2014)
7
The impact of polar stratospheric ozone loss on Southern Hemisphere stratospheric circulation and climate
J Keeble, P Braesicke, NL Abraham, HK Roscoe, JA Pyle
Atmospheric Chemistry and Physics Discussions
(2014)
14
ChemInform Abstract: Strategies for the Construction of Tetrahydropyran Rings in the Synthesis of Natural Products
NM Nasir, K Ermanis, PA Clarke
ChemInform
(2014)
45