Detalhe da pesquisa
1.
Taming the third order cumulant approximation to linear optical spectroscopy.
J Chem Phys
; 160(7)2024 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38380749
2.
Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations.
J Chem Phys
; 159(24)2023 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38153146
3.
Hypsochromically-shifted Emission of Metal-organic Frameworks Generated through Post-synthetic Ligand Reduction.
Angew Chem Int Ed Engl
; 62(25): e202302123, 2023 Jun 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36929127
4.
Vibronic and Environmental Effects in Simulations of Optical Spectroscopy.
Annu Rev Phys Chem
; 72: 165-188, 2021 04 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33395546
5.
Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue.
J Chem Phys
; 155(14): 144112, 2021 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34654312
6.
Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy.
J Chem Phys
; 154(8): 084116, 2021 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33639769
7.
Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions.
J Chem Phys
; 153(4): 044127, 2020 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32752702
8.
The ONETEP linear-scaling density functional theory program.
J Chem Phys
; 152(17): 174111, 2020 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32384832
9.
Effect of Ions on the Optical Absorption Spectra of Aqueously Solvated Chromophores.
J Phys Chem A
; 123(29): 6175-6184, 2019 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31194554
10.
Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches.
J Chem Phys
; 151(7): 074111, 2019 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31438704
11.
Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water.
J Chem Phys
; 149(2): 024107, 2018 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30007372
12.
Environmentally Driven Symmetry Breaking Quenches Dual Fluorescence in Proflavine.
J Phys Chem Lett
; 15(17): 4623-4632, 2024 May 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38647005
13.
Implementing vanadium peroxides as direct air carbon capture materials.
Chem Sci
; 15(5): 1700-1713, 2024 Jan 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-38303956
14.
Elucidating the Role of Hydrogen Bonding in the Optical Spectroscopy of the Solvated Green Fluorescent Protein Chromophore: Using Machine Learning to Establish the Importance of High-Level Electronic Structure.
J Phys Chem Lett
; 14(29): 6610-6619, 2023 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-37459252
15.
Colorimetric detection of acidic pesticides in water.
Chem Commun (Camb)
; 58(7): 953-956, 2022 Jan 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34940765
16.
Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue.
J Chem Theory Comput
; 18(5): 3039-3051, 2022 May 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35472264
17.
The Influence of Electronic Polarization on Nonlinear Optical Spectroscopy.
J Phys Chem B
; 125(44): 12214-12227, 2021 11 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34726915
18.
Influence of Electronic Polarization on the Spectral Density.
J Phys Chem B
; 124(3): 531-543, 2020 01 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-31880454
19.
Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments.
J Phys Chem Lett
; 11(18): 7559-7568, 2020 Sep 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-32808797
20.
Distance dependent photoacoustics revealed through DNA nanostructures.
Nanoscale
; 9(42): 16193-16199, 2017 Nov 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-29043366