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Currently displaying 6101 - 6120 of 29681 publications

Fsp³-rich and diverse fragments inspired by natural products as a collection to enhance fragment-based drug discovery

AR Hanby, NS Troelsen, TJ Osberger, SL Kidd, KT Mortensen, DR Spring

Chem Commun (Camb)

(2020)

2280

(doi: 10.1039/c9cc09796a)

Hardwood: versus softwood Kraft lignin-precursor-product relationships in the manufacture of porous carbon nanofibers for supercapacitors

P Schlee, O Hosseinaei, CA O' Keefe, MJ Mostazo-López, D Cazorla-Amorós, S Herou, P Tomani, CP Grey, M-M Titirici

Journal of Materials Chemistry A

(2020)

23543

(doi: 10.1039/d0ta09093j)

Zero-point energy and tunnelling: General discussion

SC Althorpe, AM Alvertis, W Barford, RL Benson, I Burghardt, S Giannini, S Habershon, S Hammes-Schiffer, S Hay, S Iyengar, A Kelly, K Komarova, J Lawrence, Y Litman, C Martens, RJ Maurer, D Plant, M Rossi, K Sakaushi, A Schile, S Sturniolo, DP Tew, G Trenins, G Worth

Faraday Discuss

(2020)

221

478

(doi: 10.1039/C9FD90075F)

Mechanism of an asphaltene inhibitor in different depositing environments: Influence of colloid stability

S Campen, SJ Moorhouse, JSS Wong

Journal of Petroleum Science and Engineering

(2020)

184

106502

(doi: 10.1016/j.petrol.2019.106502)

Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction

AV Strizhak, O Babii, S Afonin, I Bakanovich, T Pantelejevs, W Xu, E Fowler, R Eapen, K Sharma, MO Platonov, VV Hurmach, L Itzhaki, M Hyvönen, AS Ulrich, DR Spring, IV Komarov

Organic & Biomolecular Chemistry

(2020)

5359

(doi: 10.1039/d0ob00831a)

A revised mechanistic model for sodium insertion in hard carbons

H Au, H Alptekin, ACS Jensen, E Olsson, CA O’Keefe, T Smith, M Crespo-Ribadeneyra, TF Headen, CP Grey, Q Cai, AJ Drew, M-M Titirici

Energy and Environmental Science

(2020)

3469

(doi: 10.1039/d0ee01363c)

New approaches to study excited states in density functional theory: general discussion

JG Brandenburg, K Burke, E Fromager, M Gatti, S Giarrusso, NI Gidopoulos, P Gori-Giorgi, D Gowland, T Helgaker, MJP Hodgson, L Lacombe, G Levi, P-F Loos, NT Maitra, E Maurina Morais, N Mehta, F Monti, MR Mulay, K Pernal, L Reining, P Romaniello, MR Ryder, A Savin, D Sirbu, AM Teale, AJW Thom, DG Truhlar, J Wetherell, W Yang

Faraday discussions

(2020)

224

483

(doi: 10.1039/d0fd90026e)

Ab initio structure prediction methods for battery materials a review of recent computational efforts to predict the atomic level structure and bonding in materials for rechargeable batteries

AF Harper, ML Evans, JP Darby, B Karasulu, CP Koçer, JR Nelson, AJ Morris

Johnson Matthey Technology Review

(2020)

103

(doi: 10.1595/205651320x15742491027978)

Efficient prediction of nucleus independent chemical shifts for polycyclic aromatic hydrocarbons

D Kilymis, AP Bartók, CJ Pickard, AC Forse, C Merlet

Physical Chemistry Chemical Physics

(2020)

13746

(doi: 10.1039/d0cp01705a)

Correction: Ionic-caged heterometallic bismuth–platinum complex exhibiting electrocatalytic CO 2 reduction

T Yoshida, H Md Ahsan, H-T Zhang, DC Izuogu, H Abe, H Ohtsu, T Yamaguchi, BK Breedlove, AJW Thom, M Yamashita

Dalton Transactions

(2020)

4578

(doi: 10.1039/d0dt90053b)

Two-dimensional molybdenum carbides: active electrocatalysts for the nitrogen reduction reaction

B Zhang, J Zhou, SR Elliott, Z Sun

Journal of Materials Chemistry A

(2020)

23947

(doi: 10.1039/d0ta07039d)

Mapping mechanisms and growth regimes of magnesium electrodeposition at high current densities

R Davidson, A Verma, D Santos, F Hao, CD Fincher, D Zhao, V Attari, P Schofield, J Van Buskirk, A Fraticelli-Cartagena, TEG Alivio, R Arroyave, K Xie, M Pharr, PP Mukherjee, S Banerjee

Materials Horizons

(2020)

843

(doi: 10.1039/c9mh01367a)