139 related articles for article (PubMed ID: 34241075)
1. Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites.
Schwalbe-Koda D; Gómez-Bombarelli R
J Chem Phys; 2021 May; 154(17):174109. PubMed ID: 34241075
[TBL] [Abstract][Full Text] [Related]
2. Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks.
Jensen Z; Kwon S; Schwalbe-Koda D; Paris C; Gómez-Bombarelli R; Román-Leshkov Y; Corma A; Moliner M; Olivetti EA
ACS Cent Sci; 2021 May; 7(5):858-867. PubMed ID: 34079901
[TBL] [Abstract][Full Text] [Related]
3. Data-Driven Design of Biselective Templates for Intergrowth Zeolites.
Schwalbe-Koda D; Corma A; Román-Leshkov Y; Moliner M; Gómez-Bombarelli R
J Phys Chem Lett; 2021 Nov; 12(43):10689-10694. PubMed ID: 34709806
[TBL] [Abstract][Full Text] [Related]
4. Machine-learning approach to the design of OSDAs for zeolite beta.
Daeyaert F; Ye F; Deem MW
Proc Natl Acad Sci U S A; 2019 Feb; 116(9):3413-3418. PubMed ID: 30733290
[TBL] [Abstract][Full Text] [Related]
5. Directing Aluminum Atoms into Energetically Favorable Tetrahedral Sites in a Zeolite Framework by Using Organic Structure-Directing Agents.
Muraoka K; Chaikittisilp W; Yanaba Y; Yoshikawa T; Okubo T
Angew Chem Int Ed Engl; 2018 Mar; 57(14):3742-3746. PubMed ID: 29405535
[TBL] [Abstract][Full Text] [Related]
6. Synthesis of a specified, silica molecular sieve by using computationally predicted organic structure-directing agents.
Schmidt JE; Deem MW; Davis ME
Angew Chem Int Ed Engl; 2014 Aug; 53(32):8372-4. PubMed ID: 24961789
[TBL] [Abstract][Full Text] [Related]
7. Evaluation of Force-Field Calculations of Lattice Energies on a Large Public Dataset, Assessment of Pharmaceutical Relevance, and Comparison to Density Functional Theory.
Marchese Robinson RL; Geatches D; Morris C; Mackenzie R; Maloney AGP; Roberts KJ; Moldovan A; Chow E; Pencheva K; Vatvani DRM
J Chem Inf Model; 2019 Nov; 59(11):4778-4792. PubMed ID: 31638394
[TBL] [Abstract][Full Text] [Related]
8. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
Göltl F; Grüneis A; Bučko T; Hafner J
J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
[TBL] [Abstract][Full Text] [Related]
9. Rediscovery of the Importance of Inorganic Synthesis Parameters in the Search for New Zeolites.
Shin J; Jo D; Hong SB
Acc Chem Res; 2019 May; 52(5):1419-1427. PubMed ID: 31013053
[TBL] [Abstract][Full Text] [Related]
10. Design of Organic Structure-Directing Agents for the Controlled Synthesis of Zeolites for Use in Carbon Dioxide/Methane Membrane Separations.
Daeyaert F; Deem MW
Chempluschem; 2020 Feb; 85(2):277-284. PubMed ID: 32011828
[TBL] [Abstract][Full Text] [Related]
11. Sustainable Synthesis of Pure Silica Zeolites from a Combined Strategy of Zeolite Seeding and Alcohol Filling.
Wu Q; Zhu L; Chu Y; Liu X; Zhang C; Zhang J; Xu H; Xu J; Deng F; Feng Z; Meng X; Xiao FS
Angew Chem Int Ed Engl; 2019 Aug; 58(35):12138-12142. PubMed ID: 31283076
[TBL] [Abstract][Full Text] [Related]
12. An Extra-Large-Pore Zeolite with 24×8×8-Ring Channels Using a Structure-Directing Agent Derived from Traditional Chinese Medicine.
Zhang C; Kapaca E; Li J; Liu Y; Yi X; Zheng A; Zou X; Jiang J; Yu J
Angew Chem Int Ed Engl; 2018 May; 57(22):6486-6490. PubMed ID: 29532573
[TBL] [Abstract][Full Text] [Related]
13. Synthesis of Extra-Large Pore, Large Pore and Medium Pore Zeolites Using a Small Imidazolium Cation as the Organic Structure-Directing Agent.
Gao ZR; Balestra SRG; Li J; Camblor MA
Chemistry; 2021 Dec; 27(72):18109-18117. PubMed ID: 34730258
[TBL] [Abstract][Full Text] [Related]
14. Studying the adsorption of emerging organic contaminants in zeolites with dispersion-corrected density functional theory calculations: From numbers to recommendations.
Fischer M; Brauer J
ChemistryOpen; 2024 Feb; ():e202300273. PubMed ID: 38385822
[TBL] [Abstract][Full Text] [Related]
15. Zeolite Structure Direction: Identification, Strength and Involvement of Weak CH⋅⋅⋅O Hydrogen Bonds.
Mineva T; Dib E; Gaje A; Petitjean H; Bantignies JL; Alonso B
Chemphyschem; 2020 Jan; 21(2):149-153. PubMed ID: 31777135
[TBL] [Abstract][Full Text] [Related]
16. Local Distortions in a Prototypical Zeolite Framework Containing Double Four-Ring Cages: The Role of Framework Composition and Organic Guests*.
Fischer M; Freymann L
Chemphyschem; 2021 Jan; 22(1):40-54. PubMed ID: 33185963
[TBL] [Abstract][Full Text] [Related]
17. Multi-objective
Muraoka K; Chaikittisilp W; Okubo T
Chem Sci; 2020 Jul; 11(31):8214-8223. PubMed ID: 34094176
[TBL] [Abstract][Full Text] [Related]
18. Modeling the self-assembly of silica-templated nanoparticles in the initial stages of zeolite formation.
Chien SC; Auerbach SM; Monson PA
Langmuir; 2015 May; 31(17):4940-9. PubMed ID: 25872102
[TBL] [Abstract][Full Text] [Related]
19. Analysis of Al site-directing ability of organic structure-directing agents in FER and CHA zeolites: a computational exploration of energetic preferences.
Oishi K; Muraoka K; Nakayama A
Chem Commun (Camb); 2023 Jul; 59(58):8953-8956. PubMed ID: 37376997
[TBL] [Abstract][Full Text] [Related]
20. A working hypothesis for broadening framework types of zeolites in seed-assisted synthesis without organic structure-directing agent.
Itabashi K; Kamimura Y; Iyoki K; Shimojima A; Okubo T
J Am Chem Soc; 2012 Jul; 134(28):11542-9. PubMed ID: 22721414
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]