131 related articles for article (PubMed ID: 32692559)
1. Is Charge Scaling Really Mandatory when Developing Fixed-Charge Atomistic Force Fields for Deep Eutectic Solvents?
Chaumont A; Engler E; Schurhammer R
J Phys Chem B; 2020 Aug; 124(33):7239-7250. PubMed ID: 32692559
[TBL] [Abstract][Full Text] [Related]
2. Temperature-Dependent Empirical Parameters for Polarity in Choline Chloride Based Deep Eutectic Solvents.
Valvi A; Dutta J; Tiwari S
J Phys Chem B; 2017 Dec; 121(50):11356-11366. PubMed ID: 29148788
[TBL] [Abstract][Full Text] [Related]
3. Improved Force Field Model for the Deep Eutectic Solvent Ethaline: Reliable Physicochemical Properties.
Ferreira ESC; Voroshylova IV; Pereira CM; D S Cordeiro MN
J Phys Chem B; 2016 Sep; 120(38):10124-10137. PubMed ID: 27623239
[TBL] [Abstract][Full Text] [Related]
4. Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations.
Cysewski P; Jeliński T; Przybyłek M
Molecules; 2023 Jan; 28(2):. PubMed ID: 36677688
[TBL] [Abstract][Full Text] [Related]
5. Molecular dynamic study of alcohol-based deep eutectic solvents.
Ferreira ESC; Voroshylova IV; Figueiredo NM; Cordeiro MNDS
J Chem Phys; 2021 Aug; 155(6):064506. PubMed ID: 34391364
[TBL] [Abstract][Full Text] [Related]
6. 2H and 13C nuclear spin relaxation unravels dynamic heterogeneities in deep eutectic solvents of ethylene glycol, glycerol, or urea with choline chloride.
Hinz Y; Böhmer R
J Chem Phys; 2023 Dec; 159(22):. PubMed ID: 38078531
[TBL] [Abstract][Full Text] [Related]
7. OPLS Force Field for Choline Chloride-Based Deep Eutectic Solvents.
Doherty B; Acevedo O
J Phys Chem B; 2018 Nov; 122(43):9982-9993. PubMed ID: 30125108
[TBL] [Abstract][Full Text] [Related]
8. Molecular dynamics simulations of choline chloride and phenyl propionic acid deep eutectic solvents: Investigation of structural and dynamics properties.
Bonab PJ; Esrafili MD; Ebrahimzadeh AR; Sardroodi JJ
J Mol Graph Model; 2021 Jul; 106():107908. PubMed ID: 33831610
[TBL] [Abstract][Full Text] [Related]
9. Solvation Shell Structures of Ammonia in Reline and Ethaline Deep Eutectic Solvents.
Malik A; Kashyap HK
J Phys Chem B; 2023 Mar; 127(11):2499-2510. PubMed ID: 36912865
[TBL] [Abstract][Full Text] [Related]
10. Structural Properties and Hydrogen-Bonding Interactions in Binary Mixtures Containing a Deep-Eutectic Solvent and Acetonitrile.
Kalhor P; Xu J; Ashraf H; Cao B; Yu ZW
J Phys Chem B; 2020 Feb; 124(7):1229-1239. PubMed ID: 31984745
[TBL] [Abstract][Full Text] [Related]
11. Molecular Dynamics Simulation Study of the Far-Infrared Spectrum of a Deep Eutectic Solvent.
Reis GSA; de Souza RM; Ribeiro MCC
J Phys Chem B; 2022 Aug; 126(30):5695-5705. PubMed ID: 35858287
[TBL] [Abstract][Full Text] [Related]
12. Anatomy of Microscopic Structure of Ethaline Deep Eutectic Solvent Decoded through Molecular Dynamics Simulations.
Kaur S; Malik A; Kashyap HK
J Phys Chem B; 2019 Oct; 123(39):8291-8299. PubMed ID: 31448914
[TBL] [Abstract][Full Text] [Related]
13. Quantum chemical calculations on dissolution of dimethylformamide in ethaline.
Kalhor P; Yarivand O; Seifpanahi-Shabani K
J Mol Graph Model; 2021 Sep; 107():107966. PubMed ID: 34174555
[TBL] [Abstract][Full Text] [Related]
14. Solvation Dynamics of Wet Ethaline: Water is the Magic Component.
Alfurayj I; Fraenza CC; Zhang Y; Pandian R; Spittle S; Hansen B; Dean W; Gurkan B; Savinell R; Greenbaum S; Maginn E; Sangoro J; Burda C
J Phys Chem B; 2021 Aug; 125(31):8888-8901. PubMed ID: 34339215
[TBL] [Abstract][Full Text] [Related]
15. Ecotoxicity and biodegradability of pure and aqueous mixtures of deep eutectic solvents: glyceline, ethaline, and reline.
Lapeña D; Errazquin D; Lomba L; Lafuente C; Giner B
Environ Sci Pollut Res Int; 2021 Feb; 28(7):8812-8821. PubMed ID: 33070294
[TBL] [Abstract][Full Text] [Related]
16. Quantum Chemical Insight into the Interactions and Thermodynamics Present in Choline Chloride Based Deep Eutectic Solvents.
Wagle DV; Deakyne CA; Baker GA
J Phys Chem B; 2016 Jul; 120(27):6739-46. PubMed ID: 27268431
[TBL] [Abstract][Full Text] [Related]
17. Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents.
Spittle S; Poe D; Doherty B; Kolodziej C; Heroux L; Haque MA; Squire H; Cosby T; Zhang Y; Fraenza C; Bhattacharyya S; Tyagi M; Peng J; Elgammal RA; Zawodzinski T; Tuckerman M; Greenbaum S; Gurkan B; Burda C; Dadmun M; Maginn EJ; Sangoro J
Nat Commun; 2022 Jan; 13(1):219. PubMed ID: 35017478
[TBL] [Abstract][Full Text] [Related]
18. Molecular motion and ion diffusion in choline chloride based deep eutectic solvents studied by 1H pulsed field gradient NMR spectroscopy.
D'Agostino C; Harris RC; Abbott AP; Gladden LF; Mantle MD
Phys Chem Chem Phys; 2011 Dec; 13(48):21383-91. PubMed ID: 22033601
[TBL] [Abstract][Full Text] [Related]
19. Solvatochromic probe behavior within choline chloride-based deep eutectic solvents: effect of temperature and water.
Pandey A; Pandey S
J Phys Chem B; 2014 Dec; 118(50):14652-61. PubMed ID: 25418894
[TBL] [Abstract][Full Text] [Related]
20. Deep Eutectic Solvents: Molecular Simulations with a First-Principles Polarizable Force Field.
Jeong KJ; McDaniel JG; Yethiraj A
J Phys Chem B; 2021 Jul; 125(26):7177-7186. PubMed ID: 34181852
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]