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.
100 related articles for article (PubMed ID: 25294121)
21. Conformational structure of gaseous 3-chloropropanoyl chloride by electron diffraction, normal coordinate analysis, and ab initio molecular orbital, and density functional theory calculations. Johansen TH; Hagen K J Phys Chem A; 2006 Sep; 110(38):11136-44. PubMed ID: 16986848 [TBL] [Abstract][Full Text] [Related]
22. Preserving the half-metallicity at the Heusler alloy Co2MnSi(001) surface: a density functional theory study. Hashemifar SJ; Kratzer P; Scheffler M Phys Rev Lett; 2005 Mar; 94(9):096402. PubMed ID: 15783982 [TBL] [Abstract][Full Text] [Related]
23. The effect of copper speciation on the formation of chlorinated aromatics on real municipal solid waste incinerator fly ash. Takaoka M; Yamamoto T; Shiono A; Takeda N; Oshita K; Matsumoto T; Tanaka T Chemosphere; 2005 Jun; 59(10):1497-505. PubMed ID: 15876392 [TBL] [Abstract][Full Text] [Related]
24. First-principles calculations of the atomic and electronic structure of SrZrO3 and PbZrO3 (001) and (011) surfaces. Eglitis RI; Rohlfing M J Phys Condens Matter; 2010 Oct; 22(41):415901. PubMed ID: 21386602 [TBL] [Abstract][Full Text] [Related]
25. A theoretical investigation of the (0001) covellite surfaces. Gaspari R; Manna L; Cavalli A J Chem Phys; 2014 Jul; 141(4):044702. PubMed ID: 25084932 [TBL] [Abstract][Full Text] [Related]
26. Controlled copper-mediated chlorination of phenol rings under mild conditions. Song YF; van Albada GA; Tang J; Mutikainen I; Turpeinen U; Massera C; Roubeau O; Costa JS; Gamez P; Reedijk J Inorg Chem; 2007 Jun; 46(12):4944-50. PubMed ID: 17497851 [TBL] [Abstract][Full Text] [Related]
27. Copper(I)-dioxygen reactivity of [(L)Cu(I)](+) (L = tris(2-pyridylmethyl)amine): kinetic/thermodynamic and spectroscopic studies concerning the formation of Cu-O2 and Cu2-O2 adducts as a function of solvent medium and 4-pyridyl ligand substituent variations. Zhang CX; Kaderli S; Costas M; Kim EI; Neuhold YM; Karlin KD; Zuberbühler AD Inorg Chem; 2003 Mar; 42(6):1807-24. PubMed ID: 12639113 [TBL] [Abstract][Full Text] [Related]
28. Ab initio and work function and surface energy anisotropy of LaB6. Uijttewaal MA; de Wijs GA; de Groot RA J Phys Chem B; 2006 Sep; 110(37):18459-65. PubMed ID: 16970472 [TBL] [Abstract][Full Text] [Related]
29. Alkaline earth chloride hydrates: chlorine quadrupolar and chemical shift tensors by solid-state NMR spectroscopy and plane wave pseudopotential calculations. Bryce DL; Bultz EB Chemistry; 2007; 13(17):4786-96. PubMed ID: 17385204 [TBL] [Abstract][Full Text] [Related]
30. Transition metal surfaces under oxygen-rich conditions (abstract only). Seriani N J Phys Condens Matter; 2008 Feb; 20(6):064213. PubMed ID: 21693875 [TBL] [Abstract][Full Text] [Related]
31. Hydrates of copper dichloride in aqueous solution: a density functional theory and polarized continuum model investigation. Xia FF; Yi HB; Zeng D J Phys Chem A; 2009 Dec; 113(51):14029-38. PubMed ID: 19928772 [TBL] [Abstract][Full Text] [Related]
33. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007). Hafner J J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862 [TBL] [Abstract][Full Text] [Related]
34. Energetics and diffusion of intrinsic surface and subsurface defects on anatase TiO2(101). Cheng H; Selloni A J Chem Phys; 2009 Aug; 131(5):054703. PubMed ID: 19673581 [TBL] [Abstract][Full Text] [Related]
35. Synthesis, crystal structures, and thermal and thermodynamic properties of dimorphic copper(I) coordination polymers. Näther C; Jess I Inorg Chem; 2003 May; 42(9):2968-76. PubMed ID: 12716189 [TBL] [Abstract][Full Text] [Related]
36. On how differently the quasi-harmonic approximation works for two isostructural crystals: thermal properties of periclase and lime. Erba A; Shahrokhi M; Moradian R; Dovesi R J Chem Phys; 2015 Jan; 142(4):044114. PubMed ID: 25637976 [TBL] [Abstract][Full Text] [Related]
37. Changes in the geometries of C₂H₂ and C₂H₄ on coordination to CuCl revealed by broadband rotational spectroscopy and ab-initio calculations. Stephens SL; Bittner DM; Mikhailov VA; Mizukami W; Tew DP; Walker NR; Legon AC Inorg Chem; 2014 Oct; 53(19):10722-30. PubMed ID: 25233123 [TBL] [Abstract][Full Text] [Related]
38. Synthesis, structural characterization, and ab initio study of Cu(5+δ)In(2+x)Sb(2-x): a new B8-related structure type. Müller CJ; Lidin S; de Debiaggi SR; Deluque Toro CE; Guillermet AF Inorg Chem; 2012 Oct; 51(20):10787-92. PubMed ID: 23030763 [TBL] [Abstract][Full Text] [Related]
39. Electrochemistry of high concentration copper chloride complexes. Zhao H; Chang J; Boika A; Bard AJ Anal Chem; 2013 Aug; 85(16):7696-703. PubMed ID: 23848061 [TBL] [Abstract][Full Text] [Related]
40. Ab initio thermodynamic evaluation of Pd atom interaction with CeO(2) surfaces. Mayernick AD; Janik MJ J Chem Phys; 2009 Aug; 131(8):084701. PubMed ID: 19725615 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]