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- Currently displaying 6101 - 6120 of 29281 publications
Similarity transformation of the electronic Schrodinger equation via Jastrow factorization
The Journal of Chemical Physics
(2019)
151
061101
(doi: 10.1063/1.5116024)
Redox‐Guest‐Induced Multimode Photoluminescence Switch for Sequential Logic Gates in a Photoactive Coordination Cage
Chemistry (Weinheim an der Bergstrasse, Germany)
(2019)
25
11903
(doi: 10.1002/chem.201901612)
Novel semiconducting iron–quinizarin metal–organic framework for application in supercapacitors*
Molecular Physics
(2019)
117
3424
Organoiron- And Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes
J Am Chem Soc
(2019)
141
13336
(doi: 10.1021/jacs.9b07069)
Hyperuniformity and static structure factor of amorphous silicon in the infinite-wavelength limit
Journal of Physics: Conference Series
(2019)
1252
012003
Predicting Macrocyclic Molecular Recognition with Machine Learning
(2019)
(doi: 10.26434/chemrxiv.9540068.v1)
Clear-sky ultraviolet radiation modelling using output from the Chemistry Climate Model Initiative
Atmospheric Chemistry and Physics
(2019)
19
10087
(doi: 10.5194/acp-19-10087-2019)
The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent.
J Phys Chem Lett
(2019)
10
4829
(doi: 10.1021/acs.jpclett.9b01960)
Modular supramolecular dimerization of optically tunable extended aryl viologens.
Chem Sci
(2019)
10
8806
(doi: 10.1039/c9sc03057c)
Elucidating Compound Mechanism of Action and Predicting Cytotoxicity Using Machine Learning Approaches, Taking Prediction Confidence into Account.
Curr Protoc Chem Biol
(2019)
11
e73
(doi: 10.1002/cpch.73)
SLMP53-2 Restores Wild-Type-Like Function to Mutant p53 through Hsp70: Promising Activity in Hepatocellular Carcinoma.
Cancers (Basel)
(2019)
11
E1151
(doi: 10.3390/cancers11081151)
A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics Using Metainference.
Methods in molecular biology (Clifton, N.J.)
(2019)
2022
313
(doi: 10.1007/978-1-4939-9608-7_13)
Concepts and Applications of Conformal Prediction in Computational Drug
Discovery
(2019)
Phase behavior of empirical potentials of titanium dioxide
Journal of Chemical Physics
(2019)
151
064505
(doi: 10.1063/1.5115161)
Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease
(2019)
729392
(doi: 10.1101/729392)
Ethynylbenziodoxolone Reactivity in Cysteine Bioconjugation
Chem
(2019)
5
1932
(doi: 10.1016/j.chempr.2019.07.014)
Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies
Chemical Reviews
(2019)
120
919
(doi: 10.1021/acs.chemrev.9b00201)
Effect of Aging on the Removal of Asphaltene Deposits with Aromatic Solvent.
Langmuir : the ACS journal of surfaces and colloids
(2019)
35
11995
(doi: 10.1021/acs.langmuir.9b01792)
Impact of Marginal Exciton–Charge-Transfer State Offset on Charge Generation and Recombination in Polymer:Fullerene Solar Cells
ACS Energy Letters
(2019)
4
2096
Simulating the climate response to atmospheric oxygen variability in the Phanerozoic: a focus on the Holocene, Cretaceous and Permian
Climate of the Past
(2019)
15
1463
(doi: 10.5194/cp-15-1463-2019)