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Currently displaying 8721 - 8740 of 30614 publications

The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies

L Veis, A Antalík, Ö Legeza, A Alavi, J Pittner

Journal of chemical theory and computation

(2018)

2439

(doi: 10.1021/acs.jctc.8b00022)

Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc)

AC Forse, SA Altobelli, S Benders, MS Conradi, JA Reimer

(2018)

(doi: 10.26434/chemrxiv.6020006.v1)

Optical Structural Analysis of Individual α‐Synuclein Oligomers

JA Varela, M Rodrigues, S De, P Flagmeier, S Gandhi, CM Dobson, D Klenerman, SF Lee

Angewandte Chemie

(2018)

130

4980

(doi: 10.1002/ange.201710779)

Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc)

AC Forse, SA Altobelli, S Benders, MS Conradi, JA Reimer

(2018)

(doi: 10.26434/chemrxiv.6020006)

Fluctuating Finite Element Analysis (FFEA): A continuum mechanics software tool for mesoscale simulation of biomolecules

A Solernou, BS Hanson, RA Richardson, R Welch, DJ Read, OG Harlen, SA Harris

PLOS Computational Biology

(2018)

e1005897

(doi: 10.1371/journal.pcbi.1005897)

The Effect of Methyl Acetate, Ethylene Sulfate, and Carbonate Blends on the Parasitic Heat Flow of NMC532/Graphite Lithium Ion Pouch Cells

SL Glazier, J Li, X Ma, LD Ellis, JP Allen, KL Gering, JR Dahn

Journal of The Electrochemical Society

(2018)

165

A867

(doi: 10.1149/2.0451805jes)

NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr)

A Nandy, AC Forse, VJ Witherspoon, JA Reimer

Journal of Physical Chemistry C

(2018)

122

8295

(doi: 10.1021/acs.jpcc.7b12628)

Energy Landscapes for the Aggregation of Aβ

K Röder, DJ Wales

Journal of the American Chemical Society

(2018)

140

4018

(doi: 10.1021/jacs.7b12896)

Chemo and regioselective lysine modification on native proteins

MJ Matos, BL Oliveira, N Martínez-Sáez, A Guerreiro, PMSD Cal, J Bertoldo, M Maneiro, E Perkins, J Howard, MJ Deery, JM Chalker, F Corzana, G Jiménez-Osés, GJL Bernardes

Journal of the American Chemical Society

(2018)

140

4004

(doi: 10.1021/jacs.7b12874)

Access to Silicon(II)– and Germanium(II)–Indium Compounds

S Pahar, S Karak, M Pait, KV Raj, K Vanka, SS Sen

Organometallics

(2018)

1206

(doi: 10.1021/acs.organomet.8b00093)

A Particulate Photocatalyst Water-Splitting Panel for Large-Scale Solar Hydrogen Generation

Y Goto, T Hisatomi, Q Wang, T Higashi, K Ishikiriyama, T Maeda, Y Sakata, S Okunaka, H Tokudome, M Katayama, S Akiyama, H Nishiyama, Y Inoue, T Takewaki, T Setoyama, T Minegishi, T Takata, T Yamada, K Domen

Joule

(2018)

509

(doi: 10.1016/j.joule.2017.12.009)

Microbiome–host systems interactions: Protective effects of propionate upon the blood–brain barrier

L Hoyles, T Snelling, U-K Umlai, JK Nicholson, SR Carding, RC Glen, S McArthur

Microbiome

(2018)

(doi: 10.1186/s40168-018-0439-y)

The ab initio computation of some magnetic properties and their variation with an electric field

B Day, AD Buckingham

Molecular Physics

(2018)

343

(doi: 10.1080/00268977600103141)

Chirality at Solid Surfaces

SJ Jenkins

(2018)

(doi: 10.1002/9781118880173)

Ten years of incarceration: A versatile, water-soluble cage

D Vosburg, J Nitschke