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- Currently displaying 5721 - 5740 of 30233 publications
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods.
J Chem Phys
(2020)
153
034107
(doi: 10.1063/5.0005754)
A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death
(2020)
(doi: 10.1101/2020.07.15.200709)
An accurate and transferable machine learning potential for carbon.
The Journal of chemical physics
(2020)
153
034702
(doi: 10.1063/5.0005084)
Improving double-ended transition state searches for soft-matter systems.
The Journal of chemical physics
(2020)
153
034104
(doi: 10.1063/5.0011829)
One-/Two-Photon Excited Cell Membrane Imaging and Tracking by a Photoactive Nanocage
ACS Applied Materials & Interfaces
(2020)
12
35873
(doi: 10.1021/acsami.0c08462)
Nanoporous silica pre-concentrator for vapour-phase DMNB, a detection taggant for explosives
ACS omega
(2020)
5
18073
(doi: 10.1021/acsomega.0c01615)
Applying Support-Vector Machine Learning Algorithms towards Predicting Host-Guest Interactions with Cucurbit[7]uril
Physical Chemistry Chemical Physics
(2020)
22
14976
(doi: 10.1039/c9cp05800a)
Real-Time Highly-Sensitive Protein Quantification Through On-Chip Chemiluminescence
(2020)
Genome-wide DNA Methylation Signatures Are Determined by DNMT3A/B Sequence Preferences.
Biochemistry
(2020)
59
2541
(doi: 10.1021/acs.biochem.0c00339)
Hydrothermal polymerization towards fully biobased polyazomethines
Chemical Communications
(2020)
56
9194
(doi: 10.1039/d0cc03026k)
Quantitative Supramolecular Heterodimerization for Efficient Energy Transfer
Angewandte Chemie
(2020)
132
16097
(doi: 10.1002/ange.202006530)
Quantitative Supramolecular Heterodimerization for Efficient Energy Transfer.
Angewandte Chemie International Edition
(2020)
59
15963
(doi: 10.1002/anie.202006530)
Phonon traces in glassy vibrations
Physical Review B
(2020)
102
024202
(doi: 10.1103/PhysRevB.102.024202)
A well-behaved theoretical framework for ReaxFF reactive force fields
The Journal of chemical physics
(2020)
153
021102
(doi: 10.1063/5.0013906)
Efficient and exact sampling of transition path ensembles on Markovian networks.
J Chem Phys
(2020)
153
024121
(doi: 10.1063/5.0012128)
Recent developments in the PySCF program package
Journal of Chemical Physics
(2020)
153
024109
(doi: 10.1063/5.0006074)
Highly Selective Asymmetric Hydrogenation of Oximes to Hydroxylamine Derivatives
Chem
(2020)
6
1517
(doi: 10.1016/j.chempr.2020.06.025)
Insights into the synergistic mechanism of target resistance: A case study of N. lugens RDL-GABA receptors and fipronil.
Biophys Chem
(2020)
265
106426
(doi: 10.1016/j.bpc.2020.106426)