165 related articles for article (PubMed ID: 20218589)
1. Atmospheric implications for formation of clusters of ammonium and 1-10 water molecules.
Morrell TE; Shields GC
J Phys Chem A; 2010 Apr; 114(12):4266-71. PubMed ID: 20218589
[TBL] [Abstract][Full Text] [Related]
2. Hydration of OCS with one to four water molecules in atmospheric and laboratory conditions.
Hartt GM; Shields GC; Kirschner KN
J Phys Chem A; 2008 May; 112(19):4490-5. PubMed ID: 18422291
[TBL] [Abstract][Full Text] [Related]
3. Theoretical study on stable small clusters of oxalic acid with ammonia and water.
Weber KH; Liu Q; Tao FM
J Phys Chem A; 2014 Feb; 118(8):1451-68. PubMed ID: 24471486
[TBL] [Abstract][Full Text] [Related]
4. Theoretical study on the structure and stabilities of molecular clusters of oxalic acid with water.
Weber KH; Morales FJ; Tao FM
J Phys Chem A; 2012 Nov; 116(47):11601-17. PubMed ID: 23088395
[TBL] [Abstract][Full Text] [Related]
5. Thermodynamics of forming water clusters at various temperatures and pressures by Gaussian-2, Gaussian-3, complete basis set-QB3, and complete basis set-APNO model chemistries; implications for atmospheric chemistry.
Dunn ME; Pokon EK; Shields GC
J Am Chem Soc; 2004 Mar; 126(8):2647-53. PubMed ID: 14982475
[TBL] [Abstract][Full Text] [Related]
6. Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.
Mackie ID; DiLabio GA
J Chem Phys; 2011 Oct; 135(13):134318. PubMed ID: 21992316
[TBL] [Abstract][Full Text] [Related]
7. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
Nagy PI; Erhardt PW
J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
[TBL] [Abstract][Full Text] [Related]
8. Accurate predictions of water cluster formation, (H₂O)(n=2-10).
Shields RM; Temelso B; Archer KA; Morrell TE; Shields GC
J Phys Chem A; 2010 Nov; 114(43):11725-37. PubMed ID: 20882961
[TBL] [Abstract][Full Text] [Related]
9. Thermodynamic properties of molecular borane amines and the [BH4-][NH4+] salt for chemical hydrogen storage systems from ab initio electronic structure theory.
Dixon DA; Gutowski M
J Phys Chem A; 2005 Jun; 109(23):5129-35. PubMed ID: 16833867
[TBL] [Abstract][Full Text] [Related]
10. On the interaction of aliphatic amines and ammonium ions with carboxylic acids in solution and in receptor pockets.
Nagy PI; Erhardt PW
J Phys Chem B; 2012 May; 116(18):5425-36. PubMed ID: 22510106
[TBL] [Abstract][Full Text] [Related]
11. In search of CS2(H2O)(n=1-4) clusters.
Kirschner KN; Hartt GM; Evans TM; Shields GC
J Chem Phys; 2007 Apr; 126(15):154320. PubMed ID: 17461639
[TBL] [Abstract][Full Text] [Related]
12. Exploring the rich energy landscape of sulfate-water clusters SO4(2-) (H2O)(n=3-7): an electronic structure approach.
Lambrecht DS; Clark GN; Head-Gordon T; Head-Gordon M
J Phys Chem A; 2011 Oct; 115(41):11438-54. PubMed ID: 21888323
[TBL] [Abstract][Full Text] [Related]
13. Quantum chemical MP2 results on some hydrates of cytosine: binding sites, energies and the first hydration shell.
Fogarasi G; Szalay PG
Phys Chem Chem Phys; 2015 Nov; 17(44):29880-90. PubMed ID: 26487481
[TBL] [Abstract][Full Text] [Related]
14. Dynamical discrete/continuum linear response shells theory of solvation: convergence test for NH4+ and OH- ions in water solution using DFT and DFTB methods.
de Lima GF; Duarte HA; Pliego JR
J Phys Chem B; 2010 Dec; 114(48):15941-7. PubMed ID: 21077689
[TBL] [Abstract][Full Text] [Related]
15. Hydration of atmospherically relevant molecular clusters: computational chemistry and classical thermodynamics.
Henschel H; Navarro JC; Yli-Juuti T; Kupiainen-Määttä O; Olenius T; Ortega IK; Clegg SL; Kurtén T; Riipinen I; Vehkamäki H
J Phys Chem A; 2014 Apr; 118(14):2599-611. PubMed ID: 24678924
[TBL] [Abstract][Full Text] [Related]
16. Structure, stability, and infrared spectroscopy of (H2O)nNH4(+) clusters: a theoretical study at zero and finite temperature.
Douady J; Calvo F; Spiegelman F
J Chem Phys; 2008 Oct; 129(15):154305. PubMed ID: 19045191
[TBL] [Abstract][Full Text] [Related]
17. Comparison of model chemistry and density functional theory thermochemical predictions with experiment for formation of ionic clusters of the ammonium cation complexed with water and ammonia; atmospheric implications.
Pickard FC; Dunn ME; Shields GC
J Phys Chem A; 2005 Jun; 109(22):4905-10. PubMed ID: 16833837
[TBL] [Abstract][Full Text] [Related]
18. Theoretical study of the hydration of atmospheric nucleation precursors with acetic acid.
Zhu YP; Liu YR; Huang T; Jiang S; Xu KM; Wen H; Zhang WJ; Huang W
J Phys Chem A; 2014 Sep; 118(36):7959-74. PubMed ID: 25143013
[TBL] [Abstract][Full Text] [Related]
19. Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities.
Hickey AL; Rowley CN
J Phys Chem A; 2014 May; 118(20):3678-87. PubMed ID: 24796376
[TBL] [Abstract][Full Text] [Related]
20. Quantum chemical calculations of the Cl- + CH3I --> CH3Cl + I- potential energy surface.
Zhang J; Lourderaj U; Addepalli SV; de Jong WA; Hase WL
J Phys Chem A; 2009 Mar; 113(10):1976-84. PubMed ID: 19115824
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]