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  • Currently displaying 5801 - 5820 of 30305 publications
Author(s)
Publication title
Journal Name
Publication year
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods.
K Guther, RJ Anderson, NS Blunt, NA Bogdanov, D Cleland, N Dattani, W Dobrautz, K Ghanem, P Jeszenszki, N Liebermann, GL Manni, AY Lozovoi, H Luo, D Ma, F Merz, C Overy, M Rampp, PK Samanta, LR Schwarz, JJ Shepherd, SD Smart, E Vitale, O Weser, GH Booth, A Alavi
J Chem Phys
(2020)
153
Granular hydrogels for 3D bioprinting applications
W Cheng, J Zhang, J Liu, Z Yu
View
(2020)
1
One-/Two-Photon Excited Cell Membrane Imaging and Tracking by a Photoactive Nanocage.
Y-P Wang, K Wu, M Pan, K Li, J-T Mo, X-H Duan, H-Z He, J Shen, C-Y Su
ACS Applied Materials & Interfaces
(2020)
12
A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death
DE Scott, NJ Francis-Newton, ME Marsh, AG Coyne, G Fischer, T Moschetti, AR Bayly, TD Sharpe, KT Haas, L Barber, CR Valenzano, R Srinivasan, DJ Huggins, M Ehebauer, A Esposito, L Pellegrini, T Perrior, G McKenzie, TL Blundell, M Hyvönen, J Skidmore, AR Venkitaraman, C Abell
(2020)
Improving double-ended transition state searches for soft-matter systems
K Röder, DJ Wales
Journal of Chemical Physics
(2020)
153
An accurate and transferable machine learning potential for carbon.
P Rowe, VL Deringer, P Gasparotto, G Csányi, A Michaelides
The Journal of chemical physics
(2020)
153
Genome-wide DNA Methylation Signatures Are Determined by DNMT3A/B Sequence Preferences.
S-Q Mao, SM Cuesta, D Tannahill, S Balasubramanian
Biochemistry
(2020)
59
Applying support-vector machine learning algorithms toward predicting host-guest interactions with cucurbit[7]uril.
A Tabet, T Gebhart, G Wu, C Readman, M Pierson Smela, VK Rana, C Baker, H Bulstrode, P Anikeeva, DH Rowitch, OA Scherman
Physical Chemistry Chemical Physics
(2020)
22
Hydrothermal polymerization towards fully biobased polyazomethines
G Li, K Yu, J Noordijk, MHM Meeusen-Wierts, B Gebben, PAM Oude Lohuis, AHM Schotman, KV Bernaerts
Chem Commun (Camb)
(2020)
56
Real-Time Highly-Sensitive Protein Quantification Through On-Chip Chemiluminescence
HK Chiu, T Kartanas, S R. A. Devenish, K Saar, C Mouritsen Luxhøj, T Knowles
(2020)
Nanoporous Silica Preconcentrator for Vapor-Phase DMNB, a Detection Taggant for Explosives
C Day, N Rowe, T Hutter
ACS Omega
(2020)
5
A well-behaved theoretical framework for ReaxFF reactive force fields.
D Furman, DJ Wales
J Chem Phys
(2020)
153
Phonon traces in glassy vibrations
NS Shcheblanov, ME Povarnitsyn, JD Wiles, SR Elliott, SN Taraskin
Physical Review B
(2020)
102
Quantitative Supramolecular Heterodimerization for Efficient Energy Transfer
G Wu, Z Huang, OA Scherman
Angewandte Chemie
(2020)
132
Quantitative Supramolecular Heterodimerization for Efficient Energy Transfer.
G Wu, Z Huang, OA Scherman
Angew Chem Int Ed Engl
(2020)
59
Efficient and exact sampling of transition path ensembles on Markovian networks
DJ Sharpe, DJ Wales
The Journal of chemical physics
(2020)
153
Beyond Carbon: Enantioselective and Enantiospecific Reactions with Catalytically Generated Boryl- and Silylcopper Intermediates.
W Xue, M Oestreich
ACS Central Science
(2020)
6
Recent developments in the PySCF program package.
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, GH Booth, J Chen, Z-H Cui, JJ Eriksen, Y Gao, S Guo, J Hermann, MR Hermes, K Koh, P Koval, S Lehtola, Z Li, J Liu, N Mardirossian, JD McClain, M Motta, B Mussard, HQ Pham, A Pulkin, W Purwanto, PJ Robinson, E Ronca, ER Sayfutyarova, M Scheurer, HF Schurkus, JET Smith, C Sun, S-N Sun, S Upadhyay, LK Wagner, X Wang, A White, JD Whitfield, MJ Williamson, S Wouters, J Yang, JM Yu, T Zhu, TC Berkelbach, S Sharma, AY Sokolov, GK-L Chan
Journal of Chemical Physics
(2020)
153
Highly Selective Asymmetric Hydrogenation of Oximes to Hydroxylamine Derivatives
F Tan, P Zheng, Y-Q Zou
Chem
(2020)
6
Stimulus-Mediated Ultrastable Radical Formation
JA McCune, MF Kuehnel, E Reisner, OA Scherman
Chem
(2020)
6