Approaching the basis set limit for transition metal compounds with highly polar bonds: A benchmark coupled-cluster study of the ScF3 and FeF3 molecular structures and spectra-Reference-Cited by-同舟云学术

Approaching the basis set limit for transition metal compounds with highly polar bonds: A benchmark coupled-cluster study of the ScF3 and FeF3 molecular structures and spectra

Published:2005-03 Issue:9 Volume:122 Page:094322
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Solomonik Victor G.,Stanton John F.,Boggs James E.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1853376

Reference59 articles.

1. THE APPLICATION OF AB INITIO ELECTRONIC STRUCTURE CALCULATIONS TO MOLECULES CONTAINING TRANSITION METAL ATOMS

2. Multiconfigurational Perturbation Theory: Applications in Electronic Spectroscopy

3. Electronic Structure Calculations for Molecules Containing Transition Metals

4. Approaching the Hartree-Fock limit for organotransition metal complexes

5. A systematic study of basis set effects inabinitioSCF calculations: Well‐tempered Gaussian‐type function basis set calculations on transition metal halides

Cited by 18 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Gas-Phase Thermochemistry of MX3 and M2X6 (M = Sc, Y; X = F, Cl, Br, I) from a Composite Reaction-Based Approach: Homolytic versus Heterolytic Cleavage;Inorganic Chemistry;2020-11-19

2. Facile synthesis of scandium fluoride oriented single-crystalline rods and urchin-like structures by a gas–solution interface technique;CrystEngComm;2017

3. Thermodynamic functions and formation enthalpies of scandium trihalides molecules;High Temperature;2015-11

4. New Evidence in an Old Case: The Question of Chromium Hexafluoride Reinvestigated;Inorganic Chemistry;2014-05-15

5. 127 F3Fe Iron trifluoride;Molecules Containing No Carbon Atoms and Molecules Containing One or Two Carbon Atoms;2014