| 01 |
Beenken, Wichard J.D. |
Polaron formation or electron correlation - What traps the charges in PPV |
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| 02 |
Belpassi, Leonardo |
Electron density fitting approach in relativistic density functional theory |
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| 03 |
Benedikt, Udo |
Basis set convergence of spin-spin coupling constants calculated using coupled cluster methods: Optimization of correlation consistent basis sets |
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| 04 |
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canceled |
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| 05 |
Casassa, Silvia |
The CRYSCOR project, a post Hartree-Fock local-correlation method for crystals |
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| 06 |
de Graaf, Coen |
Role of charge transfer configuration in LaMnO3, CaMnO3 and CaFeO3 |
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| 07 |
Halo, Migen |
The MP2 treatment of periodic systems with CRYSCOR |
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| 08 |
Kats, Danylo |
Properties of excited states from local CC2 |
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| 09 |
Kumar, Manoj |
Temperature and pressure dependance of the magnetic and electrical properties of nanocrystalline vacancy doped manganites |
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| 10 |
Liu, Yu |
Open-shell local correlation methods |
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| 11 |
Monari, Antonio |
Full-configuration-interaction study of the metal-insulator transition in model systems |
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| 12 |
Rosciszewski, Krzystof |
Ab-initio calculations for the group 13 metals Al, Ga, In |
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| 13 |
Sadeghian, Keyarash |
QM/MM Study of BlrB, a bacterial blue light sensitive photoreceptor |
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| 14 |
Sahoo, Bijaya Kumar |
Accurate estimations of polarizabilities using relativistic coupled-cluster theory |
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| 15 |
Schemmel, Dominik |
Phenol-(Water)1..3 revisited: An ab-initio study on the photophysics at the level of coupled cluster response theory |
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| 16 |
Sharma, Yogeshchandra |
Study of electron-electron correlation in A15 compounds |
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| 17 |
Siódmiak, Jacek |
Computer modeling of lyzosyme crystals growth under variety of physicochemical conditions using amphiphilic growth units |
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| 18 |
Song, Bo |
Molecular junctions in the Coulomb blockade regime: Rectification and nesting |
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| 19 |
Talman, James |
Optimization of numerically defined AOs in molecular HF calculations |
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| 20 |
Tonner, Ralf |
Divalent Carbon(0) compounds. A theoretical study |
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| 21 |
Voloshina, Elena |
An ab initio wavefunction-based correlation
treatment for metals |
