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.
230 related articles for article (PubMed ID: 23485304)
21. Global ab initio potential energy surfaces for the O2(3Σg-)+O2(3Σg-) interaction. Bartolomei M; Carmona-Novillo E; Hernández MI; Campos-Martínez J; Hernández-Lamoneda R J Chem Phys; 2010 Sep; 133(12):124311. PubMed ID: 20886936 [TBL] [Abstract][Full Text] [Related]
22. High-level ab initio investigations on structures and energetics of N2O clusters. Yeole SD; Sahu N; Gadre SR J Phys Chem A; 2013 Sep; 117(36):8591-8. PubMed ID: 23621643 [TBL] [Abstract][Full Text] [Related]
23. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer. Pitonák M; Riley KE; Neogrády P; Hobza P Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830 [TBL] [Abstract][Full Text] [Related]
24. Spectroscopic properties of Ar(x)-Zn and Ar(x)-Ag(+) (x = 1,2) van der Waals complexes. Oyedepo GA; Peterson C; Schoendorff G; Wilson AK J Chem Phys; 2013 Mar; 138(10):104116. PubMed ID: 23514474 [TBL] [Abstract][Full Text] [Related]
25. 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]
26. A Density Functional Theory and ab Initio Investigation of the Oxidation Reaction of CO by IO Radicals. Khanniche S; Louis F; Cantrel L; Černušák I J Phys Chem A; 2016 Mar; 120(10):1737-49. PubMed ID: 26908233 [TBL] [Abstract][Full Text] [Related]
27. 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]
28. 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]
29. Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complex. Valdés A; Prosmiti R; Villarreal P; Delgado-Barrio G J Chem Phys; 2005 Jan; 122(4):44305. PubMed ID: 15740246 [TBL] [Abstract][Full Text] [Related]
30. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH. Tasić U; Alexeev Y; Vayner G; Crawford TD; Windus TL; Hase WL Phys Chem Chem Phys; 2006 Oct; 8(40):4678-84. PubMed ID: 17047766 [TBL] [Abstract][Full Text] [Related]
31. Ab initio and analytic intermolecular potentials for Ar-CF4. Vayner G; Alexeev Y; Wang J; Windus TL; Hase WL J Phys Chem A; 2006 Mar; 110(9):3174-8. PubMed ID: 16509641 [TBL] [Abstract][Full Text] [Related]
32. The electronic spectrum of AgCl2: ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects. Ramírez-Solís A; Poteau R; Daudey JP J Chem Phys; 2006 Jan; 124(3):034307. PubMed ID: 16438583 [TBL] [Abstract][Full Text] [Related]
33. Potential-energy surface, van der Waals energy spectrum, and vibronic transitions in s-tetrazine-argon complex. Makarewicz J J Chem Phys; 2006 Jan; 124(4):044310. PubMed ID: 16460165 [TBL] [Abstract][Full Text] [Related]
34. A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies. DiStasio RA; Jung Y; Head-Gordon M J Chem Theory Comput; 2005 Sep; 1(5):862-76. PubMed ID: 26641903 [TBL] [Abstract][Full Text] [Related]
35. 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]
36. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium. Yurchenko SN; Zheng J; Lin H; Jensen P; Thiel W J Chem Phys; 2005 Oct; 123(13):134308. PubMed ID: 16223289 [TBL] [Abstract][Full Text] [Related]
37. A new ab initio potential energy surface for the collisional excitation of O2 by H2. Kalugina Y; Alpizar OD; Stoecklin T; Lique F Phys Chem Chem Phys; 2012 Dec; 14(47):16458-66. PubMed ID: 23131827 [TBL] [Abstract][Full Text] [Related]
38. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials. Chao SW; Li AH; Chao SD J Comput Chem; 2009 Sep; 30(12):1839-49. PubMed ID: 19090563 [TBL] [Abstract][Full Text] [Related]
39. Theoretical investigation of the potential energy surface of the van der Waals complex CH4-N2. Kalugina YN; Cherepanov VN; Buldakov MA; Zvereva-Loëte N; Boudon V J Chem Phys; 2009 Oct; 131(13):134304. PubMed ID: 19814550 [TBL] [Abstract][Full Text] [Related]
40. 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] [Previous] [Next] [New Search]