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  • Currently displaying 11541 - 11560 of 29882 publications
Author(s)
Publication title
Journal Name
Publication year
An Oxalate Method for Measuring the Surface Area of Nickel Electrodes
DS Hall, C Bock, BR MacDougall
Journal of the Electrochemical Society
(2014)
161
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, AW Lange, A Behn, J Deng, X Feng, D Ghosh, M Goldey, PR Horn, LD Jacobson, I Kaliman, RZ Khaliullin, T Kuś, A Landau, J Liu, EI Proynov, YM Rhee, RM Richard, MA Rohrdanz, RP Steele, EJ Sundstrom, HL Woodcock, PM Zimmerman, D Zuev, B Albrecht, E Alguire, B Austin, GJO Beran, YA Bernard, E Berquist, K Brandhorst, KB Bravaya, ST Brown, D Casanova, C-M Chang, Y Chen, SH Chien, KD Closser, DL Crittenden, M Diedenhofen, RA DiStasio, H Do, AD Dutoi, RG Edgar, S Fatehi, L Fusti-Molnar, A Ghysels, A Golubeva-Zadorozhnaya, J Gomes, MWD Hanson-Heine, PHP Harbach, AW Hauser, EG Hohenstein, ZC Holden, T-C Jagau, H Ji, B Kaduk, K Khistyaev, J Kim, J Kim, RA King, P Klunzinger, D Kosenkov, T Kowalczyk, CM Krauter, KU Lao, AD Laurent, KV Lawler, SV Levchenko, CY Lin, F Liu, E Livshits, RC Lochan, A Luenser, P Manohar, SF Manzer, S-P Mao, N Mardirossian, AV Marenich, SA Maurer, NJ Mayhall, E Neuscamman, CM Oana, R Olivares-Amaya, DP O’Neill, JA Parkhill, TM Perrine, R Peverati, A Prociuk, DR Rehn, E Rosta, NJ Russ, SM Sharada, S Sharma, DW Small, A Sodt, T Stein, D Stück, Y-C Su, AJW Thom, T Tsuchimochi, V Vanovschi, L Vogt, O Vydrov, T Wang, MA Watson, J Wenzel, A White, CF Williams, J Yang, S Yeganeh, SR Yost, Z-Q You, IY Zhang, X Zhang, Y Zhao, BR Brooks, GKL Chan, DM Chipman, CJ Cramer, WA Goddard, MS Gordon, WJ Hehre, A Klamt, HF Schaefer, MW Schmidt, CD Sherrill, DG Truhlar, A Warshel, X Xu, A Aspuru-Guzik, R Baer, AT Bell, NA Besley, J-D Chai, A Dreuw, BD Dunietz, TR Furlani, SR Gwaltney, C-P Hsu, Y Jung, J Kong, DS Lambrecht, W Liang, C Ochsenfeld, VA Rassolov, LV Slipchenko, JE Subotnik, T Van Voorhis, JM Herbert, AI Krylov, PMW Gill, M Head-Gordon
Molecular Physics
(2014)
113
Tackling Sampling Challenges in Biomolecular Simulations
A Barducci, J Pfaendtner, M Bonomi
Methods Mol Biol
(2014)
1215
Different fluorophore labeling strategies and designs affect millisecond kinetics of DNA hairpins.
A Hartmann, G Krainer, M Schlierf
Molecules
(2014)
19
Ultrafast phase-change logic device driven by melting processes.
D Loke, JM Skelton, W-J Wang, T-H Lee, R Zhao, T-C Chong, SR Elliott
Proceedings of the National Academy of Sciences
(2014)
111
Cys-Scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ
KS Molnar, M Bonomi, R Pellarin, GD Clinthorne, G Gonzalez, SD Goldberg, M Goulian, A Sali, WF Degrado
Structure
(2014)
22
Berichtigung: Metallfreie Anellierung von Arenen mit 2‐Aminopyridin‐Derivaten: die Methylgruppe als spurlose nichtchelatisierende dirigierende Gruppe
S Manna, K Matcha, AP Antonchick
Angewandte Chemie
(2014)
126
Corrigendum: Metal‐Free Annulation of Arenes with 2‐Aminopyridine Derivatives: The Methyl Group as a Traceless Non‐Chelating Directing Group
S Manna, K Matcha, AP Antonchick
Angewandte Chemie International Edition
(2014)
53
Toxicity prediction using heterogeneous chemical and biological data sources
A Bender
Toxicology Letters
(2014)
229
Concise synthesis of substituted quinolizin-4-ones by ring-closing metathesis
TA Alanine, WRJD Galloway, TM McGuire, DR Spring
European Journal of Organic Chemistry
(2014)
2014
Carbon-Embedded Carbon Nanotubes as Supports of Polymer Electrolyte Membrane Fuel Cell Catalysts
H Li, X Zhang, D He, T Peng, S Mu
Journal of nanoscience and nanotechnology
(2014)
14
Towards an MIE atlas - Definition and role
T Allen, J Goodman, S Gutsell, P Russell
Toxicology Letters
(2014)
229
Surface acidity of 2:1-type dioctahedral clay minerals from first principles molecular dynamics simulations
X Liu, J Cheng, M Sprik, X Lu, R Wang
Geochimica Et Cosmochimica Acta
(2014)
140
Chiral gold nanowires with boerdijk-coxeter-bernal structure
Y Zhu, J He, C Shang, X Miao, J Huang, Z Liu, H Chen, Y Han
J Am Chem Soc
(2014)
136
Influence of isoprene chemical mechanism on modelled changes in tropospheric ozone due to climate and land use over the 21st century
OJ Squire, AT Archibald, PT Griffiths, ME Jenkin, JA Pyle
Atmospheric Chemistry and Physics Discussions
(2014)
14
Facile Method for Preparing Surface-Mounted Cucurbit[8]uril-Based Rotaxanes
C Hu, Y Lan, F Tian, KR West, OA Scherman
Langmuir
(2014)
30
Superposition enhanced nested sampling
S Martiniani, JD Stevenson, DJ Wales, D Frenkel
Physical Review X
(2014)
4
Interfacial structure of soft matter probed by SFG spectroscopy.
S Ye, Y Tong, A Ge, L Qiao, PB Davies
Chemical record (New York, N.Y.)
(2014)
14
Information-theoretic measurements of coupling between structure and dynamics in glass formers.
RL Jack, AJ Dunleavy, CP Royall
Phys Rev Lett
(2014)
113
Kinetic analysis of the multistep aggregation mechanism of monoclonal antibodies
L Nicoud, P Arosio, M Sozo, A Yates, E Norrant, M Morbidelli
The Journal of Physical Chemistry B
(2014)
118