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Currently displaying 9261 - 9280 of 31130 publications

Modifying the donor properties of tris(pyridyl)aluminates in lanthanide( ii ) sandwich compounds

R García-Rodríguez, S Kopf, D Wright

Dalton transactions (Cambridge, England : 2003)

(2018)

2232

(doi: 10.1039/C7DT04657J)

Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures

S Fujikake, VL Deringer, TH Lee, M Krynski, SR Elliott, G Csányi

(2018)

(doi: 10.48550/arxiv.1712.04472)

Holomorphic Hartree-Fock Theory: The Nature of Two-Electron Problems.

HGA Burton, M Gross, AJW Thom

J Chem Theory Comput

(2018)

607

(doi: 10.1021/acs.jctc.7b00980)

Structural Characterization of the Li-Ion Battery Cathode Materials LiTi x Mn2–x O4 (0.2 ≤ x ≤ 1.5): A Combined Experimental 7Li NMR and First-Principles Study

R Pigliapochi, ID Seymour, C Merlet, AJ Pell, DT Murphy, S Schmid, CP Grey

Chemistry of Materials

(2018)

817

(doi: 10.1021/acs.chemmater.7b04314)

Detecting RNA base methylations in single cells by in situ hybridization

RT Ranasinghe, MR Challand, KA Ganzinger, BW Lewis, C Softley, WH Schmied, MH Horrocks, N Shivji, JW Chin, J Spencer, D Klenerman

Nature Communications

(2018)

655

(doi: 10.1038/s41467-017-02714-7)

Combining the Transcorrelated Method with Full Configuration Interaction Quantum Monte Carlo: Application to the Homogeneous Electron Gas.

H Luo, A Alavi

J Chem Theory Comput

(2018)

1403

(doi: 10.1021/acs.jctc.7b01257)

Linear Positional Isomer Sorting in Nonporous Adaptive Crystals of a Pillar[5]arene.

K Jie, Y Zhou, E Li, R Zhao, M Liu, F Huang

J Am Chem Soc

(2018)

140

3190

(doi: 10.1021/jacs.7b13156)

Lennard–Jones Lecture 2017^*

RM Lynden-Bell

Molecular Physics

(2018)

116

1915

(doi: 10.1080/00268976.2018.1431409)

Triterpenic azines, a new class of compounds with selective cytotoxicity to leukemia cells CCRF-CEM

J Pokorny, S Krajcovicova, M Hajduch, M Holoubek, S Gurska, P Dzubak, T Volna, I Popa, M Urban

Future medicinal chemistry

(2018)

483

(doi: 10.4155/fmc-2017-0171)

Recent advances in luminescent dinuclear iridium(III) complexes and their application in organic electroluminescent devices

G Li, DG Congrave, D Zhu, Z Su, MR Bryce

Polyhedron

(2018)

140

146

(doi: 10.1016/j.poly.2017.11.029)

Phosphoric acid as a precursor to chemicals traditionally synthesized from white phosphorus.

MB Geeson, CC Cummins

Science (New York, N.Y.)

(2018)

359

1383

(doi: 10.1126/science.aar6620)

Pip-HoGu: An Artificial Assembly with Cooperative DNA Recognition Capable of Mimicking Transcription Factor Pairs.

Z Yu, C Guo, Y Wei, K Hashiya, T Bando, H Sugiyama

Journal of the American Chemical Society

(2018)

140

2426

(doi: 10.1021/jacs.7b13275)

Targeting Multiple Effector Pathways in Pancreatic Ductal Adenocarcinoma with a G-Quadruplex-Binding Small Molecule

C Marchetti, KG Zyner, SA Ohnmacht, M Robson, SM Haider, JP Morton, G Marsico, T Vo, S Laughlin-Toth, AA Ahmed, G Di Vita, I Pazitna, M Gunaratnam, RJ Besser, ACG Andrade, S Diocou, JA Pike, D Tannahill, RB Pedley, TRJ Evans, WD Wilson, S Balasubramanian, S Neidle

Journal of Medicinal Chemistry

(2018)

2500

(doi: 10.1021/acs.jmedchem.7b01781)

Enzymatic Self-Assembly Confers Exceptionally Strong Synergism with NF-κB Targeting for Selective Necroptosis of Cancer Cells.

J Zhou, X Du, X Chen, J Wang, N Zhou, D Wu, B Xu

Journal of the American Chemical Society

(2018)

140

2301

(doi: 10.1021/jacs.7b12368)

Estimates of Ozone Return Dates from Chemistry-Climate Model Initiative Simulations

S Dhomse, D Kinnison, MP Chipperfield, I Cionni, M Hegglin, NL Abraham, H Akiyoshi, AT Archibald, EM Bednarz, S Bekki, P Braesicke, N Butchart, M Dameris, M Deushi, S Frith, SC Hardiman, B Hassler, LW Horowitz, R-M Hu, P Jöckel, B Josse, O Kirner, S Kremser, U Langematz, J Lewis, M Marchand, M Lin, E Mancini, V Marécal, M Michou, O Morgenstern, FM O'Connor, L Oman, G Pitari, DA Plummer, JA Pyle, LE Revell, E Rozanov, R Schofield, A Stenke, K Stone, K Sudo, S Tilmes, D Visioni, Y Yamashita, G Zeng

(2018)

(doi: 10.5194/acp-2018-87)

Supplementary material to "Estimates of Ozone Return Dates from Chemistry-Climate Model Initiative Simulations"

(2018)

(doi: 10.5194/acp-2018-87-supplement)

Fast and accurate quantum Monte Carlo for molecular crystals.

A Zen, JG Brandenburg, J Klimeš, A Tkatchenko, D Alfè, A Michaelides

Proc Natl Acad Sci U S A

(2018)

115

1724

(doi: 10.1073/pnas.1715434115)