Detalhe da pesquisa
1.
Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery.
J Chem Inf Model
; 64(6): 1966-1974, 2024 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38437714
2.
Machine learning for molecular and materials science.
Nature
; 559(7715): 547-555, 2018 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30046072
3.
Mechanical properties and peculiarities of molecular crystals.
Chem Soc Rev
; 52(9): 3098-3169, 2023 May 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37070570
4.
Modulation of π-stacking modes and photophysical properties of an organic semiconductor through isosteric cocrystallization.
J Chem Phys
; 155(7): 071102, 2021 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34418924
5.
A Reversible Structural Phase Transition by Electrochemically-Driven Ion Injection into a Conjugated Polymer.
J Am Chem Soc
; 142(16): 7434-7442, 2020 Apr 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-32227841
6.
Modeling the dielectric constants of crystals using machine learning.
J Chem Phys
; 153(2): 024503, 2020 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32668921
7.
Super- and Ferroelastic Organic Semiconductors for Ultraflexible Single-Crystal Electronics.
Angew Chem Int Ed Engl
; 59(31): 13004-13012, 2020 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32342626
8.
Materials discovery by chemical analogy: role of oxidation states in structure prediction.
Faraday Discuss
; 211(0): 553-568, 2018 10 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-30027179
9.
Applications of crystal structure prediction - inorganic and network structures: general discussion.
Faraday Discuss
; 211(0): 613-642, 2018 10 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-30298165
10.
Accessible chemical space for metal nitride perovskites.
Chem Sci
; 14(34): 9175-9185, 2023 Aug 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37655035
11.
Correction: Investigation of factors affecting the stability of compounds formed by isovalent substitution in layered oxychalcogenides, leading to identification of Ba3Sc2O5Cu2Se2, Ba3Y2O5Cu2Se2, Ba3Sc2O5Ag2Se2 and Ba3In2O5Ag2Se2.
J Mater Chem C Mater
; 11(47): 16828, 2023 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38077995
12.
Investigation of factors affecting the stability of compounds formed by isovalent substitution in layered oxychalcogenides, leading to identification of Ba3Sc2O5Cu2Se2, Ba3Y2O5Cu2S2, Ba3Sc2O5Ag2Se2 and Ba3In2O5Ag2Se2.
J Mater Chem C Mater
; 10(10): 3784-3795, 2022 Mar 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36325578
13.
Not All Aggregates Are Made the Same: Distinct Structures of Solution Aggregates Drastically Modulate Assembly Pathways, Morphology, and Electronic Properties of Conjugated Polymers.
Adv Mater
; 34(32): e2203055, 2022 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-35724384
14.
Drastic Modulation of Molecular Packing and Intrinsic Dissolution Rates by Meniscus-Guided Coating of Extremely Confined Pharmaceutical Thin Films.
ACS Appl Mater Interfaces
; 13(47): 56519-56529, 2021 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34783517
15.
Spin-coated fluorinated PbS QD superlattice thin film with high hole mobility.
Nanoscale
; 12(20): 11174-11181, 2020 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32406467
16.
Descriptors for Electron and Hole Charge Carriers in Metal Oxides.
J Phys Chem Lett
; 11(2): 438-444, 2020 Jan 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-31875393
17.
Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure.
Chem Sci
; 9(4): 1022-1030, 2018 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29675149
18.
Computational Screening of All Stoichiometric Inorganic Materials.
Chem
; 1(4): 617-627, 2016 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-27790643