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Currently displaying 8061 - 8080 of 29659 publications

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

HGA Burton, M Gross, AJW Thom

Journal of Chemical Theory and Computation

(2018)

607

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

Structural Characterization of the Li-Ion Battery Cathode Materials LiTi_xMn_2-xO₄ (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)

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

R García-Rodríguez, S Kopf, D Wright

Dalton Trans

(2018)

2232

(doi: 10.1039/c7dt04657j)

Lennard–Jones Lecture 2017**

RM Lynden-Bell

Molecular Physics

(2018)

116

1915

(doi: 10.1080/00268976.2018.1431409)

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

H Luo, A Alavi

Journal of Chemical Theory and Computation

(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

Journal of the American Chemical Society

(2018)

140

3190

(doi: 10.1021/jacs.7b13156)

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 Med Chem

(2018)

483

(doi: 10.4155/fmc-2017-0171)

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)

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)

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

J Am Chem Soc

(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

J Med Chem

(2018)

2500

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

Direct Observation of Oligomerization by Single Molecule Fluorescence Reveals a Multistep Aggregation Mechanism for the Yeast Prion Protein Ure2

J Yang, AJ Dear, TCT Michaels, CM Dobson, TPJ Knowles, S Wu, S Perrett

J Am Chem Soc

(2018)

140

2493

(doi: 10.1021/jacs.7b10439)

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)

Development of a machine learning potential for graphene

P Rowe, G Csányi, D Alfè, A Michaelides

Physical Review B

(2018)

054303

(doi: 10.1103/physrevb.97.054303)