| 1 |
Quantum-relativistic velocities in nano-transport
Di Sia P
Applied Surface Science, 446, 187, 2018 |
| 2 |
Adsorption of the astatine species on a gold surface: A relativistic density functional theory study
Demidov Y, Zaitsevskii A
Chemical Physics Letters, 691, 126, 2018 |
| 3 |
Global and local approaches to population analysis: Bonding patterns in superheavy element compounds
Oleynichenko A, Zaitsevskii A, Romanov S, Skripnikov LV, Titov AV
Chemical Physics Letters, 695, 63, 2018 |
| 4 |
Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data
Pershina V, Ilias M
Chemical Physics Letters, 694, 107, 2018 |
| 5 |
Singlet-triplet interaction in linear triatomic molecules
Osherov VI, Osherov MV, Poluyanov LV
Chemical Physics Letters, 692, 232, 2018 |
| 6 |
Relativistic Jahn-Teller effect in triplet electronic states of tetrahedral molecules
Osherov VI, Osherov MV, Poluyanov LV
Chemical Physics Letters, 706, 625, 2018 |
| 7 |
Mechanistic study of the [(dpp-bian)Re(CO)(3)Br] electrochemical reduction using in situ EPR spectroscopy and computational chemistry
Abramov PA, Dmitriev AA, Kholin KV, Gritsan NP, Kadirov MK, Gushchin AL, Sokolov MN
Electrochimica Acta, 270, 526, 2018 |
| 8 |
Spin-orbit effect into isomerization barrier of small gold Clusters. O-h <-> D-2h Fluxionality of the Au-6(2+) cluster Investigated by relativistic methods
Munoz-Castro A, Paez-Hernandez D, Arratia-Perez R
Chemical Physics Letters, 683, 404, 2017 |
| 9 |
Segmented all-electron Gaussian basis sets of double and triple zeta qualities for Fr, Ra, and Ac
Campos CT, de Oliveira AZ, Ferreira IB, Jorge FE, Martins LSC
Chemical Physics Letters, 675, 1, 2017 |
| 10 |
Synthesis, characterization and relativistic DFT studies of fac-Re(CO)(3)(isonicotinicacid)(2)Cl complex
Zuniga C, Oyarzun DP, Martin-Transaco R, Yanez M, Tello A, Fuentealba M, Cantero-Lopez P, Arratia-Perez R
Chemical Physics Letters, 688, 66, 2017 |
