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  • Currently displaying 5881 - 5900 of 29281 publications
Author(s)
Publication title
Journal Name
Publication year
Multireference Stochastic Coupled Cluster.
M-A Filip, CJC Scott, AJW Thom
Journal of chemical theory and computation
(2019)
15
One-Dimensional Pnictogen Allotropes inside Single-Wall Carbon Nanotubes
M Hart, J Chen, A Michaelides, A Sella, MSP Shaffer, CG Salzmann
Inorganic Chemistry
(2019)
58
Molecular replication using covalent base-pairs with traceless linkers
D Núñez-Villanueva, CA Hunter
Organic & Biomolecular Chemistry
(2019)
17
Carbon nitride as a heterogeneous visible-light photocatalyst for the Minisci reaction and coupling to H2 production.
A Vijeta, E Reisner
Chemical Communications
(2019)
55
The Lennard-Jones potential: when (not) to use it.
X Wang, S Ramírez-Hinestrosa, J Dobnikar, D Frenkel
Phys Chem Chem Phys
(2019)
22
A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation
P Sharma, R Mahen, M Rossmann, JE Stokes, B Hardwick, DJ Huggins, A Emery, DL Kunciw, M Hyvönen, DR Spring, GJ McKenzie, AR Venkitaraman
Scientific reports
(2019)
9
Excess Lithium in Transition Metal Layers of Epitaxially Grown Thin Film Cathodes of Li2MnO3 Leads to Rapid Loss of Covalency during First Battery Cycle
F Massel, K Hikima, H Rensmo, K Suzuki, M Hirayama, C Xu, R Younesi, Y-S Liu, J Guo, R Kanno, M Hahlin, L-C Duda
The Journal of Physical Chemistry C
(2019)
123
Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics.
CL Vaillant, DJ Wales, SC Althorpe
Journal of Physical Chemistry Letters
(2019)
10
Doubly Encapsulated Perylene Diimides: Effect of Molecular Encapsulation on Photophysical Properties.
J Royakkers, A Minotto, DG Congrave, W Zeng, A Patel, AD Bond, D-K Bučar, F Cacialli, H Bronstein
J Org Chem
(2019)
85
A hybrid approach to extending selected configuration interaction and full configuration interaction quantum Monte Carlo.
NS Blunt
Journal of Chemical Physics
(2019)
151
Simulating electrochemical systems by combining the finite field method with a constant potential electrode
T Dufils, G Jeanmairet, B Rotenberg, M Sprik, M Salanne
Phys Rev Lett
(2019)
123
Influence of Pluronic coating formulation on iron oxide nanoparticle transport in natural and oil-impacted sandy aquifer media
S Linley, NR Thomson, K McVey, K Sra, FX Gu
Canadian Journal of Chemical Engineering
(2019)
98
Barely porous organic cages for hydrogen isotope separation
M Liu, L Zhang, MA Little, V Kapil, M Ceriotti, S Yang, L Ding, DL Holden, R Balderas-Xicohténcatl, D He, R Clowes, SY Chong, G Schütz, L Chen, M Hirscher, AI Cooper
Science (New York, N.Y.)
(2019)
366
Zr(IV) surface sites determine CH3OH formation rate on Cu/ZrO2/SiO2 - CO2 hydrogenation catalysts
E Lam, K Larmier, S Tada, P Wolf, OV Safonova, C Copéret
Chinese Journal of Catalysis
(2019)
40
Indacenodithiazole-Ladder-Type Bridged Di(thiophene)-Difluoro-Benzothiadiazole-Conjugated Copolymers as Ambipolar Organic Field-Effect Transistors
M Barłóg, X Zhang, I Kulai, DS Yang, DN Sredojevic, A Sil, X Ji, KSM Salih, HS Bazzi, H Bronstein, L Fang, J Kim, TJ Marks, X Guo, M Al-Hashimi
Chemistry of Materials
(2019)
31
Advances in Microfluidics and DNA Nanotechnology for Biomolecular Analysis
W Arter
(2019)
Combination of mTOR inhibition and paclitaxel as a personalised strategy in the context of MYC-amplified high-grade serous ovarian cancer
FC Martins, D-L Couturier, I de Santiago, M Vias, D Sanders, A Piskorz, J Hall, M Jimenez-Linan, K Hosking, R Crawford, J Brenton
Annals of Oncology
(2019)
30
Proto‐Urea‐RNA (Wöhler RNA) Containing Unusually Stable Urea Nucleosides
H Okamura, A Crisp, S Hübner, S Becker, P Rovó, T Carell
Angewandte Chemie
(2019)
131
Proto‐Urea‐RNA (Wöhler RNA) Containing Unusually Stable Urea Nucleosides
H Okamura, A Crisp, S Hübner, S Becker, P Rovó, T Carell
Angewandte Chemie (International ed. in English)
(2019)
58
Amine Dynamics in Diamine-Appended Mg2(dobpdc) Metal–Organic Frameworks
J Xu, YM Liu, AS Lipton, J Ye, GL Hoatson, PJ Milner, TM McDonald, RL Siegelman, AC Forse, B Smit, JR Long, JA Reimer
J Phys Chem Lett
(2019)
10