Detalhe da pesquisa
1.
Stability Trends in disubstituted Cobaltocenium Based on the Analysis of the Machine Learning Models.
J Phys Chem A
; 127(50): 10701-10708, 2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38015632
2.
Cooperative and Orthogonal Switching in the Solid State Enabled by Metal-Organic Framework Confinement Leading to a Thermo-Photochromic Platform.
Angew Chem Int Ed Engl
; 62(37): e202308715, 2023 Sep 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37486788
3.
Confinement-Driven Photophysics in Hydrazone-Based Hierarchical Materials.
Angew Chem Int Ed Engl
; 62(2): e202211776, 2023 Jan 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36346406
4.
Structure-property investigations in urea tethered iodinated triphenylamines.
Phys Chem Chem Phys
; 24(31): 18729-18737, 2022 Aug 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35899998
5.
Modeling the Ligand Effect on the Structure of CYP 450 Within the Density Functional Theory.
J Phys Chem A
; 126(18): 2818-2824, 2022 May 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-35500128
6.
Correlation between the Stability of Substituted Cobaltocenium and Molecular Descriptors.
J Phys Chem A
; 126(1): 80-87, 2022 Jan 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-34974709
7.
A Metal-Organic Framework (MOF)-Based Multifunctional Cargo Vehicle for Reactive-Gas Delivery and Catalysis.
Angew Chem Int Ed Engl
; 61(12): e202113909, 2022 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34845811
8.
Assembled triphenylamine bis-urea macrocycles: exploring photodriven electron transfer from host to guests.
Phys Chem Chem Phys
; 23(41): 23953-23960, 2021 Oct 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34661219
9.
Local Measure of Quantum Effects in Quantum Dynamics.
J Phys Chem A
; 125(21): 4653-4667, 2021 Jun 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34014096
10.
From Incident Light to Persistent and Regenerable Radicals of Urea-Assembled Benzophenone Frameworks: A Structural Investigation.
J Phys Chem A
; 125(6): 1336-1344, 2021 02 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-33534579
11.
Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.
J Am Chem Soc
; 142(10): 4769-4783, 2020 03 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32073843
12.
Multidimensional Tunneling Dynamics Employing Quantum-Trajectory Guided Adaptable Gaussian Bases.
J Phys Chem A
; 124(44): 9314-9325, 2020 Nov 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33090807
13.
A Dual Threat: Redox-Activity and Electronic Structures of Well-Defined Donor-Acceptor Fulleretic Covalent-Organic Materials.
Angew Chem Int Ed Engl
; 59(15): 6000-6006, 2020 Apr 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31970859
14.
Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.
J Am Chem Soc
; 141(13): 5350-5358, 2019 04 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-30840822
15.
Stack the Bowls: Tailoring the Electronic Structure of Corannulene-Integrated Crystalline Materials.
Angew Chem Int Ed Engl
; 57(35): 11310-11315, 2018 Aug 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-29974583
16.
Quantum Dynamics with Gaussian Bases Defined by the Quantum Trajectories.
J Phys Chem A
; 120(19): 3023-31, 2016 05 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-26735750
17.
Dynamics in the quantum/classical limit based on selective use of the quantum potential.
J Chem Phys
; 141(23): 234107, 2014 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25527919
18.
The Schrödinger equation with friction from the quantum trajectory perspective.
J Chem Phys
; 138(5): 054107, 2013 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-23406098
19.
Factorized Electron-Nuclear Dynamics with an Effective Complex Potential.
J Chem Theory Comput
; 19(5): 1393-1408, 2023 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36795898
20.
Theoretical Examination of the Hydroxide Transport in Cobaltocenium-Containing Polyelectrolytes.
J Phys Chem B
; 127(47): 10129-10141, 2023 Nov 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37972315