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- Currently displaying 4001 - 4020 of 29649 publications
Fixed- and Partial-Node Approximations in Slater Determinant Space for Molecules.
Journal of Chemical Theory and Computation
(2021)
17
6092
(doi: 10.1021/acs.jctc.1c00500)
Modular Photocatalytic Synthesis of α-Trialkyl-α-Tertiary Amines
J Am Chem Soc
(2021)
143
15946
(doi: 10.1021/jacs.1c07402)
High dose gamma irradiation effects on properties of active layers in ZnO thin film transistors
Semiconductor Science and Technology
(2021)
36
105011
(doi: 10.1088/1361-6641/ac1c4e)
Visible-Light-Mediated Modification and Manipulation of Biomacromolecules.
Chemical reviews
(2021)
122
1752
(doi: 10.1021/acs.chemrev.1c00357)
A TiO2 -Co(terpyridine)2 Photocatalyst for the Selective Oxidation of Cellulose to Formate Coupled to the Reduction of CO2 to Syngas.
Angewandte Chemie International Edition
(2021)
60
23306
(doi: 10.1002/anie.202108492)
Mechanistic Insights into Dideoxygenation in Gentamicin Biosynthesis
ACS Catalysis
(2021)
11
12274
(doi: 10.1021/acscatal.1c03508)
A conformational switch controlling the toxicity of the prion protein
(2021)
2021.09.20.460912
(doi: 10.1101/2021.09.20.460912)
Sequential Storage and Release of Microdroplets for On and Off-chip Analysis
(2021)
(doi: 10.33774/chemrxiv-2021-66zrn)
Sequential Storage and Release of Microdroplets for On and Off-chip Analysis
(2021)
(doi: 10.26434/chemrxiv-2021-66zrn)
New Insights into the Crystallographic Disorder in the Polymorphic Forms of Aspirin from Low-frequency Vibrational Analysis
(2021)
(doi: 10.33774/chemrxiv-2021-dnkh4)
New Insights into the Crystallographic Disorder in the Polymorphic Forms of Aspirin from Low-frequency Vibrational Analysis
(2021)
(doi: 10.26434/chemrxiv-2021-dnkh4)
Submersed micropatterned structures control active nematic flow, topology, and concentration.
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
e2106038118
(doi: 10.1073/pnas.2106038118)
ChemDataExtractor 2.0: Autopopulated Ontologies for Materials Science
Journal of Chemical Information and Modeling
(2021)
61
4280
(doi: 10.1021/acs.jcim.1c00446)
An Empirical Model for Solvation Based on Surface Site Interaction Points
Chemical Science
(2021)
12
13193
(doi: 10.1039/d1sc03392a)
Lone pair driven anisotropy in antimony chalcogenide semiconductors
(2021)
(doi: 10.48550/arxiv.2109.08117)
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces
The Journal of Physical Chemistry Letters
(2021)
12
9108
(doi: 10.1021/acs.jpclett.1c02574)
Fcc vs. hcp competition in colloidal hard-sphere nucleation: on their relative stability, interfacial free energy and nucleation rate
Physical Chemistry Chemical Physics
(2021)
23
19611
(doi: 10.1039/d1cp01784e)
Multi-stage ensemble-learning-based model fusion for surface ozone simulations: A focus on CMIP6 models.
Environmental science and ecotechnology
(2021)
8
100124
(doi: 10.1016/j.ese.2021.100124)
Trapping or slowing the diffusion of T cell receptors at close contacts initiates T cell signaling.
Proceedings of the National Academy of Sciences
(2021)
118
e2024250118
(doi: 10.1073/pnas.2024250118)
Photoredox-Catalyzed Dehydrogenative Csp3-Csp2 Cross-Coupling of Alkylarenes to Aldehydes in Flow.
The Journal of organic chemistry
(2021)
86
13559
(doi: 10.1021/acs.joc.1c01621)