Detalhe da pesquisa
1.
Simulating Vibronic Spectra by Direct Application of Doktorov Formulas on a Superconducting Quantum Simulator.
J Phys Chem A
; 128(21): 4369-4377, 2024 May 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-38751235
2.
Ro-translational dynamics of confined water. I. The confined asymmetric rotor model.
J Chem Phys
; 156(7): 074304, 2022 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35183072
3.
Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds.
Molecules
; 27(3)2022 Jan 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35163847
4.
Diversity-Oriented Synthesis of Spiropyrrolo[1,2-a]isoquinoline Derivatives via Diastereoselective and Regiodivergent Three-Component 1,3-Dipolar Cycloaddition Reactions: In Vitro and in Vivo Evaluation of the Antidiabetic Activity of Rhodanine Analogues.
J Org Chem
; 86(19): 13420-13445, 2021 10 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34546053
5.
The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues.
Molecules
; 26(6)2021 Mar 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33810021
6.
The Unusual Conductivity of Na+ in PEO-Based Statistical Copolymer Solid Electrolytes: When Less Means More.
Angew Chem Int Ed Engl
; 60(49): 25897-25904, 2021 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34545680
7.
A Novel Side-Chain Liquid Crystal Elastomer Exhibiting Anomalous Reversible Shape Change.
Angew Chem Int Ed Engl
; 59(35): 15129-15134, 2020 Aug 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-32449819
8.
Synthesis, liquid crystalline behaviour and structure-property relationships of 1,3-bis(5-substituted-1,3,4-oxadiazol-2-yl)benzenes.
Beilstein J Org Chem
; 16: 149-158, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-32082434
9.
The Proprotein Convertase Subtilisin/Kexin Type 9-resistant R410S Low Density Lipoprotein Receptor Mutation: A NOVEL MECHANISM CAUSING FAMILIAL HYPERCHOLESTEROLEMIA.
J Biol Chem
; 292(5): 1573-1590, 2017 02 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-27998977
10.
The extent of the glass transition from molecular simulation revealing an overcrank effect.
J Comput Chem
; 39(5): 255-261, 2018 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28948620
11.
Unraveling the interplay between hydrogen bonding and rotational energy barrier to fine-tune the properties of triazine molecular glasses.
Phys Chem Chem Phys
; 18(3): 1681-92, 2016 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26675473
12.
Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.
J Org Chem
; 80(18): 9064-75, 2015 Sep 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-26291879
13.
Luminescent P-chirogenic copper clusters.
Inorg Chem
; 52(14): 7958-67, 2013 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-23795652
14.
Simulated infrared spectra of triflic acid during proton dissociation.
J Comput Chem
; 33(12): 1190-6, 2012 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-22389149
15.
Phase transition and morphology of polydispersed ABA(') triblock copolymers determined by continuous and discrete simulations.
J Chem Phys
; 130(6): 064902, 2009 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-19222293
16.
Local dynamics within the glass transition domain.
Sci Rep
; 9(1): 9638, 2019 Jul 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-31270358
17.
Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides.
RSC Adv
; 9(20): 11082-11091, 2019 Apr 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35558642
18.
Study of the influence of ester orientation on the thermal stability of the smectic C phase: Simulation investigation.
J Chem Phys
; 129(16): 164908, 2008 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-19045315
19.
High Water Flux with Ions Sieving in a Desalination 2D Sub-Nanoporous Boron Nitride Material.
ACS Omega
; 3(6): 6305-6310, 2018 Jun 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-31458812
20.
Multiply "trapped" 3[trans-Pt(PR3)2(C[triple bond, length as m-dash]CC6H4X)2]* conformers in rigid media.
Chem Commun (Camb)
; 54(8): 976-979, 2018 Jan 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-29319704