Detalhe da pesquisa
1.
The role of the electrolyte in non-conjugated radical polymers for metal-free aqueous energy storage electrodes.
Nat Mater
; 22(4): 495-502, 2023 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-36973544
2.
Reorganization Energy Predictions with Graph Neural Networks Informed by Low-Cost Conformers.
J Phys Chem A
; 127(15): 3484-3489, 2023 Apr 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-37017992
3.
Photophysical Outcomes of Water-Solvated Heterocycles: Single-Conformation Ultraviolet and Infrared Spectroscopy of Microsolvated 2-Phenylpyrrole.
J Phys Chem A
; 127(50): 10540-10554, 2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38085923
4.
Solvent-Mediated Charge Transfer Dynamics of a Model Brown Carbon Aerosol Chromophore: Photophysics of 1-Phenylpyrrole Induced by Water Solvation.
J Phys Chem A
; 126(27): 4313-4325, 2022 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35776530
5.
Extending the Lifetime of Organic Flow Batteries via Redox State Management.
J Am Chem Soc
; 141(20): 8014-8019, 2019 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-30945536
6.
Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach.
J Chem Phys
; 151(12): 121102, 2019 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31575171
7.
Precise Control of Thermal and Redox Properties of Organic Hole-Transport Materials.
Angew Chem Int Ed Engl
; 57(47): 15529-15533, 2018 Nov 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-30267466
8.
Fingerprints of inter- and intramolecular hydrogen bonding in saligenin-water clusters revealed by mid- and far-infrared spectroscopy.
Phys Chem Chem Phys
; 19(31): 20343-20356, 2017 Aug 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-28589977
9.
Correction to "Extending the Lifetime of Organic Flow Batteries via Redox State Management".
J Am Chem Soc
; 143(34): 14019-14020, 2021 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34406739
10.
Conformation-specific spectroscopy of alkyl benzyl radicals: Effects of a radical center on the CH stretch infrared spectrum of an alkyl chain.
J Chem Phys
; 145(12): 124314, 2016 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-27782631
11.
Infrared laser spectroscopy of the n-propyl and i-propyl radicals: Stretch-bend Fermi coupling in the alkyl CH stretch region.
J Chem Phys
; 145(22): 224304, 2016 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27984908
12.
Anharmonic modeling of the conformation-specific IR spectra of ethyl, n-propyl, and n-butylbenzene.
J Chem Phys
; 144(22): 224310, 2016 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27306010
13.
Modeling the CH Stretch Vibrational Spectroscopy of M(+)[Cyclohexane] (M = Li, Na, and K) Ions.
J Phys Chem A
; 119(41): 10293-9, 2015 Oct 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26376195
14.
Local Mode Approach to OH Stretch Spectra of Benzene-(H2O)n Clusters, n = 2-7.
J Phys Chem A
; 119(38): 9917-30, 2015 Sep 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-26340135
15.
Fermi resonance effects in the vibrational spectroscopy of methyl and methoxy groups.
J Phys Chem A
; 118(47): 11272-81, 2014 Nov 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-25373009
16.
Generative organic electronic molecular design informed by quantum chemistry.
Chem Sci
; 14(40): 11045-11055, 2023 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37860647
17.
Data-Driven Models for Predicting Intrinsically Disordered Protein Polymer Physics Directly from Composition or Sequence.
Mol Syst Des Eng
; 8(9): 1146-1155, 2023 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38222029
18.
Charge Transfer in Spatially Defined Organic Radical Polymers.
Chem Mater
; 35(21): 9346-9351, 2023 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38357527
19.
High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals.
J Phys Chem A
; 116(29): 7668-76, 2012 Jul 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-22784201
20.
Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries.
Nat Commun
; 11(1): 4188, 2020 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32826904