Search results
- 1.0521856 - ÚOCHB 2021 RIV DE eng J - Journal Article
Presti, D. - Kadlec, Jan - Truhlar, D. G. - Gagliardi, L.
Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies.
Theoretical Chemistry Accounts. Roč. 139, č. 2 (2020), č. článku 30. ISSN 1432-881X. E-ISSN 1432-2234
Institutional support: RVO:61388963
Keywords : excitation energies * bond energies * benchmark * MC-PDFT * pair-density * on-top pair-density functionals
OECD category: Physical chemistry
Impact factor: 1.702, year: 2020
Method of publishing: Limited access
https://link.springer.com/article/10.1007/s00214-019-2539-6
Permanent Link: http://hdl.handle.net/11104/0306408 - 2.0508136 - BTÚ 2020 RIV GB eng J - Journal Article
Havelka, D. - Deriu, M. A. - Cifra, M. - Kučera, Ondřej
Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach.
Scientific Reports. Roč. 7, JUN 26 2017 (2017), č. článku 4227. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA MŠMT(CZ) ED1.1.00/02.0109
Institutional support: RVO:86652036
Keywords : orthotropic elastic shells * normal-mode analysis * alpha-beta-tubulin * bond-energies
OECD category: Biochemistry and molecular biology
Impact factor: 4.122, year: 2017
Method of publishing: Open access
https://www.nature.com/articles/s41598-017-04272-w
Permanent Link: http://hdl.handle.net/11104/0299166