These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
192 related articles for article (PubMed ID: 23621711)
1. On the CO2 capture in water-free monoethanolamine solution: an ab initio molecular dynamics study. Han B; Sun Y; Fan M; Cheng H J Phys Chem B; 2013 May; 117(19):5971-7. PubMed ID: 23621711 [TBL] [Abstract][Full Text] [Related]
2. Reaction mechanisms of aqueous monoethanolamine with carbon dioxide: a combined quantum chemical and molecular dynamics study. Hwang GS; Stowe HM; Paek E; Manogaran D Phys Chem Chem Phys; 2015 Jan; 17(2):831-9. PubMed ID: 25382097 [TBL] [Abstract][Full Text] [Related]
3. Ab initio study of CO2 capture mechanisms in aqueous monoethanolamine: reaction pathways for the direct interconversion of carbamate and bicarbonate. Matsuzaki Y; Yamada H; Chowdhury FA; Higashii T; Onoda M J Phys Chem A; 2013 Sep; 117(38):9274-81. PubMed ID: 24003832 [TBL] [Abstract][Full Text] [Related]
4. The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2. Guido CA; Pietrucci F; Gallet GA; Andreoni W J Chem Theory Comput; 2013 Jan; 9(1):28-32. PubMed ID: 26589008 [TBL] [Abstract][Full Text] [Related]
5. Carbon dioxide capture in 2,2'-iminodiethanol aqueous solution from Kubota Y; Bučko T J Chem Phys; 2018 Dec; 149(22):224103. PubMed ID: 30553265 [TBL] [Abstract][Full Text] [Related]
6. Mechanisms of CO2 Capture into Monoethanolamine Solution with Different CO2 Loading during the Absorption/Desorption Processes. Lv B; Guo B; Zhou Z; Jing G Environ Sci Technol; 2015 Sep; 49(17):10728-35. PubMed ID: 26236921 [TBL] [Abstract][Full Text] [Related]
7. Capturing CO2 in Monoethanolamine (MEA) Aqueous Solutions: Fingerprints of Carbamate Formation Assessed with First-Principles Simulations. Ma C; Pietrucci F; Andreoni W J Phys Chem Lett; 2014 May; 5(10):1672-7. PubMed ID: 26270364 [TBL] [Abstract][Full Text] [Related]
8. A computational study of the heats of reaction of substituted monoethanolamine with CO2. Xie HB; Johnson JK; Perry RJ; Genovese S; Wood BR J Phys Chem A; 2011 Jan; 115(3):342-50. PubMed ID: 21174422 [TBL] [Abstract][Full Text] [Related]
9. The effect of CO Melnikov SM; Stein M Phys Chem Chem Phys; 2019 Aug; 21(33):18386-18392. PubMed ID: 31403642 [TBL] [Abstract][Full Text] [Related]
10. Reaction mechanism of monoethanolamine with CO₂ in aqueous solution from molecular modeling. Xie HB; Zhou Y; Zhang Y; Johnson JK J Phys Chem A; 2010 Nov; 114(43):11844-52. PubMed ID: 20939618 [TBL] [Abstract][Full Text] [Related]
11. Capture and Release of CO₂ in Monoethanolamine Aqueous Solutions: New Insights from First-Principles Reaction Dynamics. Ma C; Pietrucci F; Andreoni W J Chem Theory Comput; 2015 Jul; 11(7):3189-98. PubMed ID: 26575756 [TBL] [Abstract][Full Text] [Related]
12. Insights into the structure and dynamics of a room-temperature ionic liquid: ab initio molecular dynamics simulation studies of 1-n-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) and the [bmim][PF6]-CO2 mixture. Bhargava BL; Balasubramanian S J Phys Chem B; 2007 May; 111(17):4477-87. PubMed ID: 17417900 [TBL] [Abstract][Full Text] [Related]
13. Ab initio molecular dynamics study of carbon dioxide and bicarbonate hydration and the nucleophilic attack of hydroxide on CO2. Leung K; Nielsen IM; Kurtz I J Phys Chem B; 2007 May; 111(17):4453-9. PubMed ID: 17408252 [TBL] [Abstract][Full Text] [Related]
14. Role of hydrogen bond capacity of solvents in reactions of amines with CO Wang T; Xie HB; Song Z; Niu J; Chen DL; Xia D; Chen J J Environ Sci (China); 2020 May; 91():271-278. PubMed ID: 32172976 [TBL] [Abstract][Full Text] [Related]
15. An Efficient Molecular Simulation Methodology for Chemical Reaction Equilibria in Electrolyte Solutions: Application to CO Noroozi J; Smith WR J Phys Chem A; 2019 May; 123(18):4074-4086. PubMed ID: 30950623 [TBL] [Abstract][Full Text] [Related]
16. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations. Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974 [TBL] [Abstract][Full Text] [Related]
17. CO2 absorption in aqueous solutions of alkanolamines: mechanistic insight from quantum chemical calculations. Arstad B; Blom R; Swang O J Phys Chem A; 2007 Feb; 111(7):1222-8. PubMed ID: 17266286 [TBL] [Abstract][Full Text] [Related]
18. Interfacial Insights into a Carbon Capture System: CO McWilliams LE; Valley NA; Vincent NM; Richmond GL J Phys Chem A; 2017 Oct; 121(41):7956-7967. PubMed ID: 28930459 [TBL] [Abstract][Full Text] [Related]
19. Advanced Monoethanolamine Absorption Using Sulfolane as a Phase Splitter for CO Wang L; Zhang Y; Wang R; Li Q; Zhang S; Li M; Liu J; Chen B Environ Sci Technol; 2018 Dec; 52(24):14556-14563. PubMed ID: 30407798 [TBL] [Abstract][Full Text] [Related]
20. Molecular-level insight into unusual low pressure CO2 affinity in pillared metal-organic frameworks. Burtch NC; Jasuja H; Dubbeldam D; Walton KS J Am Chem Soc; 2013 May; 135(19):7172-80. PubMed ID: 23635306 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]