About: A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects

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About: A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects Goto Sponge NotDistinct Permalink

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scientific article published on 01 January 2008

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rdf:type	Item
description	wetenschappelijk artikel (nl) article scientifique (publié 2008) (fr) наукова стаття, опублікована в січні 2008 (uk) im Januar 2008 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu en xineru de 2008 (ast) artikull shkencor i botuar më 01 janar 2008 (sq) scientific article published on 01 January 2008 (en)
publication date	wds:Q57402110-1D96CF07-41FA-4FA9-A37E-41B6E4383F00
publication date	2008-01-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57402110-A32592E7-F55B-4B8E-BD8A-C37B8EA1D370
language of work or name	English
cites work	wds:Q57402110-2FE4BA16-B2B7-48BA-959A-D1D6F93C2EE0 wds:Q57402110-43ADC42D-0466-4F5C-8C87-092A971CC752 wds:Q57402110-4421392D-5178-48E5-A2CA-82895A0E642B wds:Q57402110-58A08046-80A5-4FA0-A280-113FA727426B wds:Q57402110-7475D407-3FD2-4BD3-87B6-C2984BAE5792 wds:Q57402110-87EC82BD-EDE3-4675-A1F5-E4EBB4E4D0F7 wds:Q57402110-8EDFE066-1439-41F8-86F7-13234F942989 wds:Q57402110-A6DBB410-F7BF-4B3E-874E-4986581D5EAB wds:Q57402110-B2D616D9-E6F8-49BB-99CF-49890718B811 wds:Q57402110-B64370B9-2828-4040-8ABA-2703419A4D74 wds:Q57402110-C1019A33-7359-4EC2-A701-B4FA6FED6D2C wds:Q57402110-F4A0DBB8-4DAA-4337-BB6D-3E05934ABA6E
cites work	General atomic and molecular electronic structure system On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods Benchmark Database of Barrier Heights for Heavy Atom Transfer, Nucleophilic Substitution, Association, and Unimolecular Reactions and Its Use to Test Theoretical Methods A fifth-order perturbation comparison of electron correlation theories A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples Representative Benchmark Suites for Barrier Heights of Diverse Reaction Types and Assessment of Electronic Structure Methods for Thermochemical Kinetics Valence bond theory for chemical dynamics Gaussian-3 (G3) theory for molecules containing first and second-row atoms Effectiveness of Diffuse Basis Functions for Calculating Relative Energies by Density Functional Theory Extension of the renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed hamiltonian to open-shell systems: a benchmark study. Combined coupled-cluster and many-body perturbation theories Robust and Affordable Multicoefficient Methods for Thermochemistry and Thermochemical Kinetics: The MCCM/3 Suite and SAC/3
author name string	wds:Q57402110-C1031CA8-0EBC-4C79-A75A-CA64A59E8F31 wds:Q57402110-DA708629-EC40-4088-95BA-8D9F04282176
author name string	Jeffrey R Gour Marta Włoch
rdfs:label	A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (en) A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (nl) A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (sq)
skos:prefLabel	A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (en) A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (nl) A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (sq)
name	A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (en) A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (nl) A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (sq)
author	wds:Q57402110-9E01D659-A721-45BE-85B1-EB3FA9F1BF13 wds:Q57402110-AE89AB13-6623-4284-89CB-08C9669BBFB4 wds:Q57402110-B713E451-6A41-42AE-8E4B-B0C139DD3609 wds:Q57402110-F2F13B1A-C2B1-4D38-98EC-476F95E03E11
author	Piotr Piecuch Donald Truhlar Jingjing Zheng Jesse J Lutz
title	wds:Q57402110-C207EAEF-1073-4D6D-8B47-C0326AD89F07
title	A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects (en)
page(s)	wds:Q57402110-CDE6656F-0C2F-4C92-8D05-4987DFB6A26A
page(s)	044108
instance of	wds:Q57402110-CABE0754-5FE1-4601-91B4-54675D768301
instance of	scholarly article
PubMed ID	wds:Q57402110-886608B8-FB7B-41B6-B06D-9DBDA15D0068
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/18247931
PubMed ID	18247931
published in	wds:Q57402110-7E057F67-AEB0-4F82-8A23-06BC74B38F6A
published in	Journal of Chemical Physics
issue	wds:Q57402110-8B8D16DA-7BB4-45F7-8B81-7C04DD11DAE7
volume	wds:Q57402110-F6316282-6235-4B98-9209-619A6E189375
issue	4
volume	128
DOI	wds:Q57402110-0CFD0179-DD8F-4FD7-9C2D-806FE8505717
DOI	http://dx.doi.org/10.1063/1.2825596
DOI	10.1063/1.2825596
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57402110
is cites work of	Molecular halogen elimination from halogen-containing compounds in the atmosphere. The formulation and performance of a perturbative correction to the perfect quadruples model Reactions between cold methyl halide molecules and alkali-metal atoms An Efficient and Accurate Formalism for the Treatment of Large Amplitude Intramolecular Motion
is cites work of	wds:Q46163066-4352E5F1-4B36-42D9-B6D1-E383A3B124C4 wds:Q38195511-F66B3EB9-4D48-4C5D-BDCF-3D3392CCBF84 wds:Q36165264-D5DAF45A-DC25-4431-9132-E096D2AD4F24 wds:Q57961195-75663D73-F9BE-4F6A-886E-96D9F01CE58D

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