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1.
Ab Initio Simulations of Poorly and Well Equilibrated (CH3CN)n- Cluster Anions: Assigning Experimental Photoelectron Peaks to Surface-Bound Electrons and Solvated Monomer and Dimer Anions.
J Phys Chem A
; 125(35): 7685-7693, 2021 Sep 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34432443
2.
Tunable Dopants with Intrinsic Counterion Separation Reveal the Effects of Electron Affinity on Dopant Intercalation and Free Carrier Production in Sequentially Doped Conjugated Polymer Films.
Adv Funct Mater
; 30(28): 2001800, 2020 Jul 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32684909
3.
Ultrafast transient absorption spectroscopy of doped P3HT films: distinguishing free and trapped polarons.
Faraday Discuss
; 216(0): 339-362, 2019 Jul 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-31038132
4.
Temperature dependence of the hydrated electron's excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models.
J Chem Phys
; 147(7): 074503, 2017 Aug 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-28830174
5.
Temperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy.
J Chem Phys
; 147(7): 074504, 2017 Aug 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-28830177
6.
Resonance Raman and temperature-dependent electronic absorption spectra of cavity and noncavity models of the hydrated electron.
Proc Natl Acad Sci U S A
; 110(8): 2712-7, 2013 Feb 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-23382233
7.
Partial Molar Solvation Volume of the Hydrated Electron Simulated Via DFT.
J Phys Chem B
; 128(10): 2425-2431, 2024 Mar 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-38422045
8.
Using Machine Learning to Understand the Causes of Quantum Decoherence in Solution-Phase Bond-Breaking Reactions.
J Phys Chem Lett
; 15(4): 903-911, 2024 Feb 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-38241152
9.
Novel WRN Helicase Inhibitors Selectively Target Microsatellite Unstable Cancer Cells.
Cancer Discov
; 2024 Apr 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38587317
10.
Activation of snap-top capped mesoporous silica nanocontainers using two near-infrared photons.
J Am Chem Soc
; 135(38): 14000-3, 2013 Sep 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-24015927
11.
Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+).
J Chem Phys
; 138(5): 054110, 2013 Feb 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-23406101
12.
Response to "Comment on 'Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+)'" [J. Chem. Phys. 139, 147101 (2013)].
J Chem Phys
; 139(14): 147102, 2013 Oct 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-24116653
13.
How Ions Break Local Symmetry: Simulations of Polarized Transient Hole Burning for Different Models of the Hydrated Electron in Contact Pairs with Na.
J Phys Chem Lett
; 14(12): 3014-3022, 2023 Mar 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-36943261
14.
Does the Traditional Band Picture Describe the Electronic Structure of Doped Conjugated Polymers? TD-DFT and Natural Transition Orbital Study of Doped P3HT.
J Chem Theory Comput
; 19(19): 6761-6769, 2023 Oct 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-37769199
15.
Ab Initio Studies of Hydrated Electron/Cation Contact Pairs: Hydrated Electrons Simulated with Density Functional Theory Are Too Kosmotropic.
J Phys Chem Lett
; 14(2): 559-566, 2023 Jan 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-36630724
16.
Facile synthesis of 2-aza-9,10-diphenylanthracene and the effect of precise nitrogen atom incorporation on OLED emitters performance.
Mater Adv
; 4(15): 3351-3355, 2023 Jul 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-37588776
17.
Crystal-packing trends for a series of 6,9,12,15,18-pentaaryl-1-hydro[60]fullerenes.
Chemistry
; 18(24): 7418-33, 2012 Jun 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-22573530
18.
Erratum: "Temperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy" [J. Chem. Phys. 147, 074504 (2017)].
J Chem Phys
; 147(13): 139903, 2017 10 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-28987099
19.
Bond-Breaking Reactions Encounter Distinct Solvent Environments Causing Breakdown of Linear Response.
J Phys Chem Lett
; 13(29): 6783-6791, 2022 Jul 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35856802
20.
Hydrated Electrons in High-Concentration Electrolytes Interact with Multiple Cations: A Simulation Study.
J Phys Chem B
; 126(20): 3748-3757, 2022 05 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-35544344