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Currently displaying 6041 - 6060 of 29675 publications

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)

Spectroscopic signatures of quantum effects: general discussion.

AM Alvertis, W Barford, S Bourne Worster, I Burghardt, A Chin, A Datta, A Dijkstra, T Fay, H Fielding, T Grünbaum, S Habershon, S Hammes-Schiffer, S Iyengar, AR Jones, K Komarova, J Léonard, Y Litman, D Picconi, D Plant, A Schile, GD Scholes, J Segarra-Martí, F Segatta, A Troisi, G Worth

Faraday Discussions

(2020)

221

322

(doi: 10.1039/C9FD90074H)

The role of composition: natural materials vs. synthetic composites: general discussion.

E Bermudez Ureña, A Borsuk, H Clark, R Fosbury, MH Godinho, M Hardy, A Holt, M Kolle, C Kuttner, M Lopez-Garcia, A McDougal, SR Mouchet, NJ Nadeau, N Nicolas, BA Palmer, A Parnell, TG Parton, P Pirih, A Qiu, G Schröder-Turk, GT van de Kerkhof, P Vukusic, W Wardley, M Xiao

Faraday discussions

(2020)

223

295

(doi: 10.1039/D0FD90017F)

Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes

Z Lun, B Ouyang, Z Cai, RJ Clément, D-H Kwon, J Huang, JK Papp, M Balasubramanian, Y Tian, BD McCloskey, H Ji, H Kim, DA Kitchaev, G Ceder

Chem

(2020)

153

(doi: 10.1016/j.chempr.2019.10.001)

Optics and photonics in nature: general discussion

H Arwin, P Barla, AJ Blake, A Borsuk, M Brien, S Burg, Y Chang, P Freyer, M Hardy, A Holt, A Kallepalli, GT van de Kerkhof, M Kolle, C Kuttner, M Ladouce, A Matt, SR Mouchet, NJ Nadeau, D Osorio, A Parnell, P Pirih, A Prakash, G Rosetta, L Schertel, D Skigin, D Stavenga, S Vignolini, P Vukusic, M Xiao

Faraday Discuss

(2020)

223

107

(doi: 10.1039/D0FD90013C)

Why are there knots in proteins?

S Jackson

Contemporary Mathematics

(2020)

746

129

(doi: 10.1090/conm/746/15006)

Multi-scale electrolyte transport simulations for lithium ion batteries

F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, M Veit

Journal of the Electrochemical Society

(2020)

167

013522

(doi: 10.1149/2.0222001JES)

Selective n-propanol formation from CO₂ over degradation-resistant activated PdCu alloy foam electrocatalysts

M Rahaman, K Kiran, IZ Montiel, V Grozovski, A Dutta, P Broekmann

Green Chemistry

(2020)

6497

(doi: 10.1039/d0gc01636e)

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)

Unified Prebiotically Plausible Synthesis of Pyrimidine and Purine RNA Ribonucleotides

T Carell, S Becker, J Feldmann, S Wiedemann

SYNTHESIS-STUTTGART

(2020)

A23

(doi: 10.1055/s-0039-1691149)

Efficient and selective antibody modification with functionalised divinyltriazines.

AJ Counsell, SJ Walsh, NS Robertson, HF Sore, DR Spring

Organic and Biomolecular Chemistry

(2020)

4739

(doi: 10.1039/d0ob01002b)

An efficient, stereocontrolled and versatile synthetic route to bicyclic partially saturated privileged scaffolds

HL Stewart, AR Hanby, TA King, AD Bond, TA Moss, HF Sore, DR Spring

Chemical communications (Cambridge, England)

(2020)

6818

(doi: 10.1039/d0cc02728f)

Hydrophosphination using [GeCl{N(SiMe3)2}3] as a pre-catalyst.

AN Barrett, HJ Sanderson, MF Mahon, RL Webster

Chemical communications (Cambridge, England)

(2020)

13623

(doi: 10.1039/d0cc05792d)

The role of structure: order vs. disorder in bio-photonic systems: general discussion.

E Bermudez Ureña, Y Chang, H Clark, B Datta, Á Escobar, M Hardy, H Hölscher, A Holt, G Isapour, M Kolle, C Kuttner, V Lloyd, A Matt, A McDougal, SR Mouchet, L Ospina, A Parnell, TG Parton, P Pirih, A Qiu, L Schertel, GT van de Kerkhof, S Vignolini, W Wardley, D Wiersma

Faraday discussions

(2020)

223

233

(doi: 10.1039/D0FD90015J)