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  • Currently displaying 7621 - 7640 of 30442 publications
Author(s)
Publication title
Journal Name
Publication year
Energy Landscape for Fold-Switching in Regulatory Protein RfaH
JA Joseph, D Chakraborty, DJ Wales
Journal of Chemical Theory and Computation
(2019)
15
Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights.
VA Neufeld, AJW Thom
J Chem Theory Comput
(2019)
15
Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems
K Röder, JA Joseph, BE Husic, DJ Wales
Advanced Theory and Simulations
(2019)
2
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods.
JG Brandenburg, A Zen, M Fitzner, B Ramberger, G Kresse, T Tsatsoulis, A Grüneis, A Michaelides, D Alfè
The journal of physical chemistry letters
(2019)
10
Dual-catalytic transition metal systems for functionalization of unreactive sites of molecules
D Lichosyt, Y Zhang, K Hurej, P Dydio
Nature Catalysis
(2019)
2
Studying Mechanical Properties and Phase Transitions of Aspirin Polymorphs with Terahertz Spectroscopy and ab Initio Simulations
Q Li, AD Bond, JA Zeitler
2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)
(2019)
00
Crystal structure, non-covalent interaction and molecular docking studies of 2-{[2-phenylsulfonyl)hydrazinylidene]methyl}benzoic acid and its dysprosium catalysed cyclized product: 2-(phenyl-sulfonyl)phthalazin-1(2H)-one
JN Asegbeloyin, DC Izuogu, EE Oyeka, OC Okpareke, A Ibezim
Journal of Molecular Structure
(2019)
1175
Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods
C Gattinoni, P Tsaousis, C Euaruksakul, R Price, DA Duncan, T Pascal, D Prendergast, G Held, A Michaelides
Langmuir
(2019)
35
Halogen-bonded cocrystallization with phosphorus, arsenic and antimony acceptors
K Lisac, F Topić, M Arhangelskis, S Cepić, PA Julien, CW Nickels, AJ Morris, T Friščić, D Cinčić
Nat Commun
(2019)
10
ESD Ideas: Photoelectrochemical carbon removal as negative emission technology
MM May, K Rehfeld
Earth System Dynamics
(2019)
10
Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct (vol 54, pg 6120, 2018)
MP Sullivan, MK Nieuwoudt, GA Bowmaker, NYS Lam, D Truong, DC Goldstone, CG Hartinger
Chemical Communications
(2019)
55
Synthesis and encapsulation of V(IV,V) compounds in silica nanoparticles targeting development of antioxidant and antiradical nanomaterials
E Halevas, CM Nday, D Eleftheriadou, G Jackson, V Psycharis, CP Raptopoulou, DG Reid, K Ypsilantis, G Litsardakis, A Salifoglou
J Inorg Biochem
(2019)
194
Industrial scale high-throughput screening delivers multiple fast acting macrofilaricides
RH Clare, C Bardelle, P Harper, WD Hong, U Börjesson, KL Johnston, M Collier, L Myhill, A Cassidy, D Plant, H Plant, R Clark, DAN Cook, A Steven, J Archer, P McGillan, S Charoensutthivarakul, J Bibby, R Sharma, GL Nixon, BE Slatko, L Cantin, B Wu, J Turner, L Ford, K Rich, M Wigglesworth, NG Berry, PM O'Neill, MJ Taylor, SA Ward
Nature communications
(2019)
10
Formation Mechanisms of ZnO Spherulites and Derivatives
BM Connolly, HF Greer, W Zhou
Crystal Growth & Design
(2019)
19
A general approach for the site-selective modification of native proteins, enabling the generation of stable and functional antibody–drug conjugates
SJ Walsh, S Omarjee, WRJD Galloway, TT-L Kwan, HF Sore, JS Parker, M Hyvönen, JS Carroll, DR Spring
Chemical science
(2019)
10
Homoconjugation enhances the photophysical and electrochemical properties of a new 3D intramolecular charge transfer iptycene displaying deep blue emission
S Montanaro, DG Congrave, MK Etherington, IA Wright
Journal of Materials Chemistry C
(2019)
7
A kinetic model for redox-active film based biophotoelectrodes
D Buesen, T Hoefer, H Zhang, N Plumeré
Faraday Discuss
(2019)
215
The role of neutral Rh(PONOP)H, free NMe2H, boronium and ammonium salts in the dehydrocoupling of dimethylamine-borane using the cationic pincer [Rh(PONOP)(η2-H2)]+ catalyst.
EAK Spearing-Ewyn, NA Beattie, AL Colebatch, AJ Martinez-Martinez, A Docker, TM Boyd, G Baillie, R Reed, SA Macgregor, AS Weller
Dalton Trans
(2019)
48
Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.
AL Colebatch, BJ Frogley, AF Hill
Dalton Trans
(2019)
48
On the kinetics of solvate formation through mechanochemistry
D Hasa, M Pastore, M Arhangelskis, B Gabriele, AJ Cruz-Cabeza, GS Rauber, AD Bond, W Jones
CrystEngComm
(2019)
21