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Currently displaying 7421 - 7440 of 31588 publications

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

AN Barrett, HJ Sanderson, MF Mahon, RL Webster

Chemical Communications

(2020)

13623

(doi: 10.1039/d0cc05792d)

Chapter 5 Concepts and Applications of Conformal Prediction in Computational Drug Discovery

I Cortés-Ciriano, A Bender

(2020)

(doi: 10.1039/9781788016841-00063)

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 : PCCP

(2020)

13746

(doi: 10.1039/d0cp01705a)

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 & Environmental Science

(2020)

3469

(doi: 10.1039/d0ee01363c)

Continuous flow synthesis of the URAT1 inhibitor lesinurad

MCFCB Damião, HM Marçon, JC Pastre

Reaction Chemistry & Engineering

(2020)

865

(doi: 10.1039/c9re00483a)

C(sp³)-H arylation to construct all-syn cyclobutane-based heterobicyclic systems: a novel fragment collection.

TJ Osberger, SL Kidd, TA King, DR Spring

Chemical Communications

(2020)

7423

(doi: 10.1039/d0cc03237a)

Plant species forbidden in health food and their toxic constituents

G Malik, S Chugh, A Rustagi, R Arora

(2020)

347

(doi: 10.1016/B978-0-12-822360-4.00013-3)

Drug Combination Modeling

AHC Vlot, DJ Mason, KC Bulusu, A Bender

(2020)

1-3

269

(doi: 10.1016/B978-0-12-801238-3.11569-7)

Emerging opportunities and future directions: general discussion.

SC Althorpe, W Barford, J Blumberger, C Bungey, I Burghardt, A Datta, S Ghosh, S Giannini, T Grünbaum, S Habershon, S Hammes-Schiffer, S Hay, S Iyengar, G Jones, A Kelly, K Komarova, J Lawrence, Y Litman, J Mannouch, D Manolopoulos, C Martens, RJ Maurer, M Melander, M Rossi, K Sakaushi, M Saller, A Schile, S Sturniolo, G Trenins, G Worth

Faraday discussions

(2020)

221

564

(doi: 10.1039/C9FD90077B)

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)

Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach.

MAC Saller, A Kelly, JO Richardson

Faraday Discussions

(2020)

221

150

(doi: 10.1039/c9fd00050j)

An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.

S Hanf, AL Colebatch, P Stehr, R García-Rodríguez, E Hey-Hawkins, DS Wright

Dalton Transactions

(2020)

5312

(doi: 10.1039/d0dt00609b)

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

Org Biomol Chem

(2020)

5359

(doi: 10.1039/d0ob00831a)