Shell-structure-based functionals for the kinetic energy (English)
- New search for: Finzel, K
- New search for: Finzel, K
In:
Theoretical chemistry accounts
;
134
, 9
; 1-10
;
2015
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ISSN:
- Article (Journal) / Print
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Title:Shell-structure-based functionals for the kinetic energy
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Contributors:Finzel, K ( author )
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Published in:Theoretical chemistry accounts ; 134, 9 ; 1-10
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Publisher:
- New search for: Springer
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Place of publication:Berlin
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Publication date:2015
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ISSN:
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ZDBID:
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DOI:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
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Keywords:
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Source:
Table of contents – Volume 134, Issue 9
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.
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Assessing the reliability of van der Waals DFT functionals to study the physisorption of molecular hydrogen on aromatic systemsDíaz, Cristina et al. | 2015
- 1
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Shell-structure-based functionals for the kinetic energyFinzel, K. et al. | 2015
- 1
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Metabolic mechanisms of caffeine catalyzed by cytochrome P450 isoenzyme 1A2: a theoretical studyChen, Zeqin / Kang, Yuan / Zhang, Chenghua / Tao, Jing / Xue, Ying et al. | 2015
- 1
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Stability of dioctahedral 2:1 phyllosilicate edge structures based on pyrophyllite modelsLavikainen, Lasse P. / Hirvi, Janne T. / Kasa, Seppo / Schatz, Timothy / Pakkanen, Tapani A. et al. | 2015
- 1
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Double-proton transfer mechanism in 1,8-dihydroxydibenzo[a,c]phenazine: a TDDFT and ab initio studyXiao, Bo / Cheng, Jianbo / Yu, Xue-fang et al. | 2015
- 1
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Internal coordinates and orthogonality: features of the pseudoinverse of the Eliashevich–Wilsonian B-matrixKalincsák, F. / Pongor, G. et al. | 2015
- 1
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Metallic and semiconducting 1D conjugated polymers based on –S–C Formula Not Shown C– repeating units in poly(sulfur acetylide)Németh, K. r. et al. | 2015
- 1
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Topological coordinates for bar polyhex carbon structuresLászló, István et al. | 2015
- 1
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Second-order Møller–Plesset perturbation (MP2) theory at finite temperature: relation with Surján’s density matrix MP2 and its application to linear-scaling divide-and-conquer methodKobayashi, Masato / Taketsugu, Tetsuya et al. | 2015
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Metallic and semiconducting 1D conjugated polymers based on –S–C $$\equiv $$ ≡ C– repeating units in poly(sulfur acetylide)Németh, Károly et al. | 2015
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Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atomCioslowski, Jerzy et al. | 2015
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Metallic and semiconducting 1D conjugated polymers based on –S–C C– repeating units in poly(sulfur acetylide)Németh, Károly et al. | 2015