About: Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets

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About: Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets Goto Sponge NotDistinct Permalink

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rdf:type	Item
description	article (en) wetenschappelijk artikel (nl) article scientifique publié en 2008 (fr) наукова стаття, опублікована у 2008 (uk) im Januar 2008 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q56903581-85831714-631C-4EFC-8ABD-0E03E96E2687
publication date	2008-01-01 00:00:00Z (xsd:dateTime)
cites work	wds:Q56903581-9784CB8C-1745-4235-B267-EB7C807B147B
cites work	Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculations.
rdfs:label	Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets (en) Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets (nl)
skos:prefLabel	Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets (en) Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets (nl)
name	Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets (en) Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets (nl)
author	wds:Q56903581-4714C629-4C7F-46B8-8F64-AB6B13378482 wds:Q56903581-ABB49515-9968-410C-9684-5B18832C69AB
author	Pablo Echenique José L. Alonso
title	wds:Q56903581-509DA774-3D68-4AD2-8E94-30E3A8C4F2D0
title	Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets (en)
page(s)	wds:Q56903581-7D9A2593-44AB-489E-9704-AE40563F7CCD
page(s)	1408-1422
instance of	wds:Q56903581-F597F86B-25F2-473F-926D-8425FB79F19D
instance of	scholarly article
main subject	wds:Q56903581-09512A26-4163-4A00-A8D1-0F5DCE3DDD40 wds:Q56903581-880C94FE-1634-426C-80EA-CD2AF3F565E0
main subject	computational mathematics general chemistry
PubMed ID	wds:Q56903581-9F774E03-DF5E-4F76-BC76-A309FD83F2A6
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/18270966
PubMed ID	18270966
DBLP publication ID	wds:Q56903581-D0F81B4A-7BBA-48A6-9148-F0258364F89E
DBLP publication ID	https://dblp.org/rec/journals/jcc/EcheniqueA08
DBLP publication ID	journals/jcc/EcheniqueA08
published in	wds:Q56903581-5F1A8945-EBEB-4AD7-8BC3-AE5D73494DBA
published in	Journal of Computational Chemistry
issue	wds:Q56903581-83D37F7A-87B0-4221-8643-C99FC8E53508
volume	wds:Q56903581-58D55090-8B31-4B81-8947-0FFB4C385CB5
issue	9
volume	29
DOI	wds:Q56903581-5101DFB6-8D98-484A-9A2E-1832E3DF6E8A
DOI	http://dx.doi.org/10.1002/JCC.20900
DOI	10.1002/JCC.20900
arXiv ID	wds:Q56903581-302C65CC-2543-4F48-9296-1382AA1E0529
arXiv ID	0704.3715
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q56903581
is cites work of	The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age The alanine model dipeptide Ac-Ala-NH2 exists as a mixture of C7(eq) and C5 conformers. The role of amino acid side chains in stabilizing dipeptides: the laser ablation Fourier transform microwave spectrum of Ac-Val-NH2. A theoretical and experimental1H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester The canonical equilibrium of constrained molecular models
is cites work of	wds:Q50218336-DFFEC345-1515-4206-9675-C31063C3CCED wds:Q28743257-6C797240-AC8D-42EC-BE54-40758B30AB4D wds:Q57782718-BA92D7E8-CF52-4341-A398-A5B99B7FD75F wds:Q56903557-4151C09A-9971-4F3B-B127-0811FC51EFF6 wds:Q34547818-8623ECBB-948B-4E1E-8981-A0D47E058355

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