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1.
Unimolecular Chemiexcited Oxygenation of Pathogenic Amyloids.
Angew Chem Int Ed Engl
; : e202405605, 2024 May 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-38757875
2.
Investigation of the metastable structures of polyiodide in acetonitrile studied using global reaction route mapping and the reference interaction site model self-consistent field explicitly including constrained spatial electron density distribution.
Phys Chem Chem Phys
; 24(38): 23712-23717, 2022 Oct 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-36149463
3.
Analytical second derivatives of the free energy in solution by the reference interaction site model self-consistent field explicitly including constrained spatial electron density distribution.
J Chem Phys
; 155(20): 204102, 2021 Nov 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-34852465
4.
Electrostatic Potential Fitting Method Using Constrained Spatial Electron Density Expanded with Preorthogonal Natural Atomic Orbitals.
J Phys Chem A
; 124(46): 9665-9673, 2020 Nov 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-33170676
5.
Vibrational Self-Consistent Field (VSCF) and Post-VSCF Method Calculations Combined with the Reference Interaction Site Model Self-Consistent Field Method Coupled with the Constrained Spatial Electron Density Distribution: Applications to NaHCOO in Aqueous Phase.
J Chem Theory Comput
; 20(11): 4885-4892, 2024 Jun 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-38815984
6.
Interpretable Attribution Assignment for Octanol-Water Partition Coefficient.
J Phys Chem B
; 127(31): 7004-7010, 2023 Aug 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-37498912
7.
Theoretical Understanding of the Nonlinear Raman Shift of C≡N Stretching Vibration of p-Aminobenzonitrile in Supercritical Water.
J Phys Chem B
; 127(13): 3010-3015, 2023 Apr 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-36961951
8.
Theoretical Study of Raman Intensities of p-Nitroaniline in Different Solvent Conditions by Using a Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution.
J Phys Chem B
; 127(51): 11023-11030, 2023 Dec 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-38100491
9.
Synthesis and structure-property relationships of 2,2'-bis(benzo[b]phosphole) and 2,2'-benzo[b]phosphole-benzo[b]heterole hybrid π systems.
Chemistry
; 18(50): 15972-83, 2012 Dec 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-23143957
10.
Spin-Orbit Coupling Calculation Combined with the Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution.
J Chem Theory Comput
; 18(10): 6043-6051, 2022 Oct 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36069633
11.
Understanding Structural Changes through Excited-State Intramolecular Proton Transfer in 4'-N,N-Diethylamino-3-hydroxyflavone (DEAHF) in Solution Based on Quantum Chemical Calculations.
J Phys Chem B
; 123(46): 9872-9881, 2019 11 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-31714084
12.
Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.
Chem Sci
; 9(10): 2666-2673, 2018 Mar 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-29719675
13.
Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions.
J Phys Chem B
; 121(9): 2164-2170, 2017 03 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-28206757
14.
Anomalous ground-state proton transfer of 4'-N,N-diethylamino-3-hydroxyflavone in ionic liquids of imidazolium-based cations with tetrafluoroborate.
Chem Commun (Camb)
; 49(38): 3976-8, 2013 May 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-23549414
15.
Excitation wavelength dependence of excited state intramolecular proton transfer reaction of 4'-N,N-diethylamino-3-hydroxyflavone in room temperature ionic liquids studied by optical Kerr gate fluorescence measurement.
J Phys Chem B
; 117(41): 12567-82, 2013 Oct 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-24088033
16.
Synthesis of 2-alkenyl- and 2-alkynyl-benzo[b]phospholes by using palladium-catalyzed cross-coupling reactions.
Org Lett
; 15(17): 4458-61, 2013 Sep 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-23952285
17.
Correction to "Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions".
J Phys Chem B
; 121(12): 2703, 2017 03 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-28304165
18.
Excited state intramolecular proton transfer reaction of 4'-N,N-diethylamino-3-hydroxyflavone and solvation dynamics in room temperature ionic liquids studied by optical Kerr gate fluorescence measurement.
J Phys Chem B
; 114(36): 11847-58, 2010 Sep 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-20731404
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