1. Direct and indirect effects of dispersion interactions on the electric properties of weakly bound complexes
| Title | Direct and indirect effects of dispersion interactions on the electric properties of weakly bound complexes |
|---|---|
| Author info | Miroslav Medveď ... [et al.] |
| Author | Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie |
| Co-authors | Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie Laurent Adéle D. (25%) Jacquemin Denis (25%) |
| Source document | The Journal of Physical Chemistry A. Vol. 119, no. 12 (2015), pp. 3112-3124. - Washington : The American Chemical Society, 2015 |
| Keywords | elektrické vlastnosti disperzné sily teória funkcionálu hustoty electric properties dispersion forces density functional theory |
| Language | English |
| Country | United States of America |
| systematics | 544 |
| Public work category | ADC |
| No. of Archival Copy | 34747 |
| Repercussion category | CALBO, Joaquin - ORTI, Enrique - SANCHO-GARCIA, Juan C. - ARAGO, Juan. The nonlocal correlation density functional VV10 : a successful attempt to accurately capture noncovalent interactions. In Annual reports in computational chemistry. Amsterdam : Elsevier science BV, 2015. Vol. 11. ISBN 978-0-444-63682-9, pp. 37-102. YANG, Xin - YANG, Yongsheng - XUE, Ying. Computational mechanism study of catalyst-dependent competitive 1,2-C> C,O> C, andN> C migrations from beta-methylene-beta-silyloxy-beta-amido-alpha-diazoacetate : insight into the origins of chemoselectivity. In ACS catalysis. ISSN 2155-5435, 2016, vol. 6, no. 1, pp. 162-175. HATUA, Kaushik - MONDAL, Avijit - NANDI, Prasanta K. Static second hyperpolarizability of inverse sandwich compounds (M-1-C5H5-M-2) of alkali (M-1 = Li, Na, K) and alkaline earth metals (M-2 = Be, Mg, Ca). In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 19, pp. 13331-13339. KOZLOWSKA, Justyna - SCHWILK, Max - ROZTOCZYNSKA, Agnieszka - BARTKOWIAK, Wojciech. Assessment of DFT for endohedral complexes' dipole moment : PNO-LCCSD-F12 as a reference method. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 46, pp. 29374-29388. |
| Catal.org. | BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici |
| Database | xpca - PUBLIKAČNÁ ČINNOSŤ |
| References | PERIODIKÁ-Súborný záznam periodika |