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- Currently displaying 7401 - 7420 of 31588 publications
Emerging opportunities and future directions: general discussion.
Faraday discussions
(2020)
221
564
(doi: 10.1039/C9FD90077B)
Structural Chemogenomics Profiling Protein-Ligand Interactions in Polypharmacological Space
(2020)
53
A multifunnel energy landscape encodes the competing $\alpha$-helix and $\beta$-hairpin conformations for a designed peptide
Phys Chem Chem Phys
(2020)
22
1359
(doi: 10.1039/c9cp04778f)
Multi-scale electrolyte transport simulations for lithium ion batteries
Journal of The Electrochemical Society
(2020)
167
013522
(doi: 10.1149/2.0222001jes)
THE APPLICATION OF ITERATIVE SCREENING TO HIT IDENTIFICATION
(2020)
315
Exciton dissociation and charge separation at donor–acceptor interfaces from quantum-classical dynamics simulations
Faraday Discuss
(2020)
221
547
(doi: 10.1039/c9fd00069k)
A novel low-bandgap pyridazine thiadiazole-based conjugated polymer with deep molecular orbital levels
Polymer Chemistry
(2020)
11
581
(doi: 10.1039/c9py01137d)
Chapter 5 Concepts and Applications of Conformal Prediction in Computational Drug Discovery
(2020)
63
(doi: 10.1039/9781788016841-00063)
Optical Projection and Spatial Separation of Spin Entangled Triplet-Pairs from the S 1 (2 1A g -) State of Pi-Conjugated Systems
(2020)
(doi: 10.2139/ssrn.3544404)
Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties
Dalton Transactions
(2020)
49
2537
(doi: 10.1039/c9dt04725e)
Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach.
Faraday Discussions
(2020)
221
150
(doi: 10.1039/c9fd00050j)
In-Situ Raman Spectroscopy of Reaction Products in Optofluidic Hollow-Core Fiber Microreactors l'? 17
2020 Conference on Lasers and Electro Optics Pacific Rim CLEO PR 2020 Proceedings
(2020)
00
C2H_2
(doi: 10.1364/CLEOPR.2020.C2H_2)
Solar activation of fungus coated in photothermal cloth.
J Mater Chem B
(2020)
8
2466
(doi: 10.1039/c9tb02857a)
Quantification of Cooperativity in the Self-Assembly of H-bonded Rosettes
Org Biomol Chem
(2020)
18
1602
(doi: 10.1039/d0ob00068j)
Efficient prediction of nucleus independent chemical shifts for polycyclic aromatic hydrocarbons
Physical chemistry chemical physics : PCCP
(2020)
22
13746
(doi: 10.1039/d0cp01705a)
A tutored discourse on microcontrollers, single board computers and their applications to monitor and control chemical reactions
Reaction Chemistry and Engineering
(2020)
5
201
(doi: 10.1039/c9re00407f)
Photocatalytic Hydrogen Generation Coupled to Pollutant Utilisation Using Carbon Dots Produced from Biomass
Green Chemistry
(2020)
22
2831
(doi: 10.1039/d0gc00318b)
A synthetic transcription factor pair mimic for precise recruitment of an epigenetic modifier to the targeted DNA locus.
Chemical communications (Cambridge, England)
(2020)
56
2296
(doi: 10.1039/c9cc09608f)
Synthesis of ?-cyclodextrin substituted bis(acyl)phosphane oxide derivative (BAPO-?-CyD) serving as multiple photoinitiator and crosslinking agent
Chemical Communications
(2020)
56
4828
(doi: 10.1039/d0cc01732a)
The role of composition: Natural materials: Vs. synthetic composites: General discussion
Faraday Discussions
(2020)
223
295
(doi: 10.1039/D0FD90017F)