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.
352 related articles for article (PubMed ID: 26908233)
21. Isomers of the uracil dimer: an ab initio benchmark study. Frey JA; Müller A; Losada M; Leutwyler S J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514 [TBL] [Abstract][Full Text] [Related]
22. Reactivity of Hydrogen Peroxide with Br and I Atoms. Fortin C; Khanniche S; Khiri D; Fèvre-Nollet V; Lebègue P; Cousin F; Černušák I; Louis F J Phys Chem A; 2018 Feb; 122(4):1053-1063. PubMed ID: 29290117 [TBL] [Abstract][Full Text] [Related]
23. Characterization of the potential energy surfaces of two small but challenging noncovalent dimers: (P2 )2 and (PCCP)2. Van Dornshuld E; Tschumper GS J Comput Chem; 2014 Mar; 35(6):479-87. PubMed ID: 24403058 [TBL] [Abstract][Full Text] [Related]
24. Accurate ab initio binding energies of alkaline earth metal clusters. Lee JS J Phys Chem A; 2005 Dec; 109(51):11927-32. PubMed ID: 16366644 [TBL] [Abstract][Full Text] [Related]
25. Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction. Li QS; Zhang Y; Zhang S J Chem Phys; 2004 Nov; 121(19):9474-80. PubMed ID: 15538868 [TBL] [Abstract][Full Text] [Related]
26. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller. Tsuzuki S; Honda K; Uchimaru T; Mikami M J Chem Phys; 2006 Mar; 124(11):114304. PubMed ID: 16555885 [TBL] [Abstract][Full Text] [Related]
27. An ab initio benchmark study of hydrogen bonded formamide dimers. Frey JA; Leutwyler S J Phys Chem A; 2006 Nov; 110(45):12512-8. PubMed ID: 17091957 [TBL] [Abstract][Full Text] [Related]
28. Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model. Valeev EF; Daniel Crawford T J Chem Phys; 2008 Jun; 128(24):244113. PubMed ID: 18601323 [TBL] [Abstract][Full Text] [Related]
29. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory. Pai CC; Li AH; Chao SD J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367 [TBL] [Abstract][Full Text] [Related]
30. Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory. Pollack L; Windus TL; de Jong WA; Dixon DA J Phys Chem A; 2005 Aug; 109(31):6934-8. PubMed ID: 16834051 [TBL] [Abstract][Full Text] [Related]
31. 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]
32. Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory. Warden CE; Smith DGA; Burns LA; Bozkaya U; Sherrill CD J Chem Phys; 2020 Mar; 152(12):124109. PubMed ID: 32241148 [TBL] [Abstract][Full Text] [Related]
33. Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization. de Jong GT; Solà M; Visscher L; Bickelhaupt FM J Chem Phys; 2004 Nov; 121(20):9982-92. PubMed ID: 15549873 [TBL] [Abstract][Full Text] [Related]
34. A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes. Hajgató B; Szieberth D; Geerlings P; De Proft F; Deleuze MS J Chem Phys; 2009 Dec; 131(22):224321. PubMed ID: 20001050 [TBL] [Abstract][Full Text] [Related]
35. On the choice of the ab initio level of theory for potential energy surface developments. Czakó G; Szabó I; Telekes H J Phys Chem A; 2014 Jan; 118(3):646-54. PubMed ID: 24377787 [TBL] [Abstract][Full Text] [Related]
36. Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: a completely renormalized coupled-cluster study. Kinal A; Piecuch P J Phys Chem A; 2007 Feb; 111(4):734-42. PubMed ID: 17249766 [TBL] [Abstract][Full Text] [Related]
37. The Cobalt-Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations. Kozlowski PM; Kumar M; Piecuch P; Li W; Bauman NP; Hansen JA; Lodowski P; Jaworska M J Chem Theory Comput; 2012 Jun; 8(6):1870-94. PubMed ID: 26593822 [TBL] [Abstract][Full Text] [Related]
38. Structure and stability of the organo-noble gas molecules XNgCCX and XNgCCNgX (Ng = Kr, Ar; X = F, Cl). Yockel S; Gawlik E; Wilson AK J Phys Chem A; 2007 Nov; 111(44):11261-8. PubMed ID: 17880047 [TBL] [Abstract][Full Text] [Related]