Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences (English)
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In:
International Journal of Quantum Chemistry
;
113
, 18
;
2110-2142
;
2013
- Article (Journal) / Electronic Resource
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Title:Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences
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Contributors:Bochevarov, Art D. ( author ) / Harder, Edward ( author ) / Hughes, Thomas F. ( author ) / Greenwood, Jeremy R. ( author ) / Braden, Dale A. ( author ) / Philipp, Dean M. ( author ) / Rinaldo, David ( author ) / Halls, Mathew D. ( author ) / Zhang, Jing ( author ) / Friesner, Richard A. ( author )
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Published in:International Journal of Quantum Chemistry ; 113, 18 ; 2110-2142
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Publisher:
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Publication date:2013-09-15
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Size:34 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 113, Issue 18
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 2091
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Global optimization of clusters using electronic structure methodsHeiles, Sven / Johnston, Roy L. et al. | 2013
- 2110
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Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciencesBochevarov, Art D. / Harder, Edward / Hughes, Thomas F. / Greenwood, Jeremy R. / Braden, Dale A. / Philipp, Dean M. / Rinaldo, David / Halls, Mathew D. / Zhang, Jing / Friesner, Richard A. et al. | 2013
- 2143
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Congested molecules. Where is the steric repulsion? An analysis of the electron density by the method of interacting quantum atomsDillen, Jan et al. | 2013
- 2154
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Intramolecular CH/π interactions in alkylaromatics: Monomer conformations for poly(3‐alkylthiophene) atomistic modelsBaggioli, Alberto / V. Meille, Stefano / Raos, Guido / Po, Riccardo / Brinkmann, Martin / Famulari, Antonino et al. | 2013
- 2163
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Electrophilicity kernel and its hierarchy through softness in conceptual density functional theoryPutz, Mihai V. / Chattaraj, Pratim K. et al. | 2013
- 2172
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Electronic confinement effects on the reaction field type calculations of solvent effectsGarcía, Victor / Zorrilla, David / Fernández, Manuel et al. | 2013
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Cover Image, Volume 113, Issue 18| 2013
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Inside Cover, Volume 113, Issue 18| 2013