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  • Currently displaying 12881 - 12900 of 31591 publications
Author(s)
Publication title
Journal Name
Publication year
Local Scaling Correction for Reducing Delocalization Error in Density Functional Approximations
C Li, X Zheng, AJ Cohen, P Mori-Sánchez, W Yang
Physical Review Letters
(2015)
114
Insights into the mechanism of a G-quadruplex-unwinding DEAH-box helicase.
MC Chen, P Murat, K Abecassis, AR Ferré-D'Amaré, S Balasubramanian
Nucleic Acids Res
(2015)
43
Molecular Simulation Study of Hydrated Na-Rectorite
J Zhou, ES Boek, J Zhu, X Lu, M Sprik, H He
Langmuir : the ACS journal of surfaces and colloids
(2015)
31
The molecular identification of organic compounds in the atmosphere: state of the art and challenges.
B Nozière, M Kalberer, M Claeys, J Allan, B D'Anna, S Decesari, E Finessi, M Glasius, I Grgić, JF Hamilton, T Hoffmann, Y Iinuma, M Jaoui, A Kahnt, CJ Kampf, I Kourtchev, W Maenhaut, N Marsden, S Saarikoski, J Schnelle-Kreis, JD Surratt, S Szidat, R Szmigielski, A Wisthaler
Chemical reviews
(2015)
115
The Adaptive Buffered Force QM/MM Method in the CP2K and AMBER Software Packages
L Mones, A Jones, AW Götz, T Laino, RC Walker, B Leimkuhler, G Csányi, N Bernstein
Journal of computational chemistry
(2015)
36
Synthesis of Conducting Polymer-Metal Nanoparticle Hybrids Exploiting RAFT Polymerization.
PE Williams, ST Jones, Z Walsh, EA Appel, EK Abo-Hamed, OA Scherman
ACS Macro Lett
(2015)
4
Experimental and theoretical studies on the rearrangement of 2-oxoazepane α,α-amino acids into 2'-oxopiperidine β(2,3,3) -amino acids: an example of intramolecular catalysis.
D Núñez-Villanueva, MÁ Bonache, L Lozano, L Infantes, J Elguero, I Alkorta, MT García-López, R González-Muñiz, M Martín-Martínez
Chemistry A European Journal
(2015)
21
Cooperative Loading and Release Behavior of a Metal-Organic Receptor
Q Gan, TK Ronson, DA Vosburg, JD Thoburn, JR Nitschke
J Am Chem Soc
(2015)
137
Enhancing H2 evolution performance of an immobilised cobalt catalyst by rational ligand design.
J Willkomm, NM Muresan, E Reisner
Chem Sci
(2015)
6
Cluster Preface: Catalysis Using Sustainable Metals - Part II
M Gaunt, H-F Chow, T Rovis
Synlett
(2015)
26
Dynamic Multivariate Regression for On-Field Calibration of High Speed Air Quality Chemical Multi-Sensor Systems
S De Vito, P Delli Veneri, E Esposito, M Salvato, V Bright, RL Jones, O Popoola
2015 18TH AISEM ANNUAL CONFERENCE
(2015)
Back pressure regulation of slurry-forming reactions in continuous flow
BJ Deadman, DL Browne, IR Baxendale, SV Ley
Chemical Engineering and Technology
(2015)
38
Desilication and silylation of Mo/HZSM-5 for methane dehydroaromatization
CHL Tempelman, VO de Rodrigues, ERH van Eck, PCMM Magusin, EJM Hensen
Microporous and Mesoporous Materials
(2015)
203
Gibbs, Boltzmann, and negative temperatures
D Frenkel, PB Warren
American Journal of Physics
(2015)
83
Chemistry in a changing world
SV Ley, RM Myers, DE Fitzpatrick
Actualite Chimique
(2015)
Vocabulary, Syntax, and Narrative Development in Typically Developing Children and Children With Early Unilateral Brain Injury: Early Parental Talk About the “There-and-Then” Matters
ÖE Demir, ML Rowe, G Heller, S Goldin-Meadow, SC Levine
Developmental psychology
(2015)
51
Insights into the structure of many-electron wave functions of Mott-insulating antiferromagnets: The three-band Hubbard model in full configuration interaction quantum Monte Carlo
LR Schwarz, GH Booth, A Alavi
Physical Review B Condensed Matter and Materials Physics
(2015)
91
The CamSol method of rational design of protein mutants with enhanced solubility
P Sormanni, FA Aprile, M Vendruscolo
Journal of Molecular Biology
(2015)
427
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
(2015)
15
Autophagy Regulatory Network-A systems-level bioinformatics resource for studying the mechanism and regulation of autophagy
D Türei, L Földvári-Nagy, D Fazekas, D Módos, J Kubisch, T Kadlecsik, A Demeter, K Lenti, P Csermely, T Vellai, T Korcsmáros
Autophagy
(2015)
11