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Kabbalee, Pilailuk, Tongraar, Anan, Kerdcharoen, Teerakiat (2015) Preferential solvation and dynamics of Li+ in aqueous ammonia solution: An ONIOM-XS MD simulation study. Chemical Physics, 446. 70-75 doi:10.1016/j.chemphys.2014.11.012

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Reference TypeJournal (article/letter/editorial)
TitlePreferential solvation and dynamics of Li+ in aqueous ammonia solution: An ONIOM-XS MD simulation study
JournalChemical Physics
AuthorsKabbalee, PilailukAuthor
Tongraar, AnanAuthor
Kerdcharoen, TeerakiatAuthor
Year2015 (January)Volume446
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2014.11.012Search in ResearchGate
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Mindat Ref. ID5963872Long-form Identifiermindat:1:5:5963872:6
GUID0
Full ReferenceKabbalee, Pilailuk, Tongraar, Anan, Kerdcharoen, Teerakiat (2015) Preferential solvation and dynamics of Li+ in aqueous ammonia solution: An ONIOM-XS MD simulation study. Chemical Physics, 446. 70-75 doi:10.1016/j.chemphys.2014.11.012
Plain TextKabbalee, Pilailuk, Tongraar, Anan, Kerdcharoen, Teerakiat (2015) Preferential solvation and dynamics of Li+ in aqueous ammonia solution: An ONIOM-XS MD simulation study. Chemical Physics, 446. 70-75 doi:10.1016/j.chemphys.2014.11.012
In(n.d.) Chemical Physics Vol. 446. Elsevier BV

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Kabbalee, Pilailuk, Sripa, Pattrawan, Tongraar, Anan, Kerdcharoen, Teerakiat (2015) Solvation structure and dynamics of K+ in aqueous ammonia solution: Insights from an ONIOM-XS MD simulation. Chemical Physics Letters, 633. 152-157 doi:10.1016/j.cplett.2015.05.037
Sripradite, Jarukorn, Tongraar, Anan, Kerdcharoen, Teerakiat (2015) Solvation structure and dynamics of Na+ in liquid ammonia studied by ONIOM-XS MD simulations. Chemical Physics, 463. 88-94 doi:10.1016/j.chemphys.2015.10.008
Chaiyasit, Prangthong, Tongraar, Anan, Kerdcharoen, Teerakiat (2017) Characteristics of methylammonium ion (CH 3 NH 3 + ) in aqueous electrolyte solution: An ONIOM-XS MD simulation study. Chemical Physics, 493. 91-101 doi:10.1016/j.chemphys.2017.06.012
Sripa, Pattrawan, Tongraar, Anan, Kerdcharoen, Teerakiat (2016) Characteristics of K + and Rb + as “structure-breaking” ions in dilute aqueous solution: Insights from ONIOM-XS MD simulations. Chemical Physics, 479. 72-80 doi:10.1016/j.chemphys.2016.09.028
Sripa, Pattrawan, Tongraar, Anan, Kerdcharoen, Teerakiat (2013) “Structure-Making” Ability of Na+in Dilute Aqueous Solution: An ONIOM-XS MD Simulation Study. The Journal of Physical Chemistry A, 117 (8). 1826-1833 doi:10.1021/jp312230g
Wanprakhon, Supachai, Tongraar, Anan, Kerdcharoen, Teerakiat (2011) Hydration structure and dynamics of K+ and Ca2+ in aqueous solution: Comparison of conventional QM/MM and ONIOM-XS MD simulations. Chemical Physics Letters, 517. 171-175 doi:10.1016/j.cplett.2011.10.048
Sripa, Pattrawan, Tongraar, Anan (2020) The “surface” (S) state of the Br− hydration: An ONIOM-XS MD simulation study. Chemical Physics Letters, 738. 136853pp. doi:10.1016/j.cplett.2019.136853
Tongraar, Anan, Michael Rode, Bernd (2004) Ab initio QM/MM molecular dynamics simulation of preferential K+ solvation in aqueous ammonia solution. Physical Chemistry Chemical Physics, 6 (2). 411pp. doi:10.1039/b310825b
Kerdcharoen, Teerakiat, Morokuma, Keiji (2002) ONIOM-XS: an extension of the ONIOM method for molecular simulation in condensed phase. Chemical Physics Letters, 355. 257-262 doi:10.1016/s0009-2614(02)00210-5
Tongraar, Anan, Rode, Bernd Michael (2008) The role of second shell quantum effects on the preferential solvation of Li+ in aqueous ammonia: An extended ab initio QM/MM MD simulation with enlarged QM region. Chemical Physics Letters, 466. 61-64 doi:10.1016/j.cplett.2008.10.048
Kerdcharoen, Teerakiat, Morokuma, Keiji (2003) Combined quantum mechanics and molecular mechanics simulation of Ca2+/ammonia solution based on the ONIOM-XS method: Octahedral coordination and implication to biology. The Journal of Chemical Physics, 118 (19). 8856-8862 doi:10.1063/1.1566733
 
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