| 1 |
Calculation of N-15 NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels (vol 123, pg 8417, 2019)
Semenov VA, Samultsev DO, Krivdin LB
Journal of Physical Chemistry A, 124(1), 256, 2020 |
| 2 |
A New Basis Set for the Calculation of C-13 NMR Chemical Shifts within a Non-empirical Correlated Framework
Rusakov YY, Rusakova IL, Semenov VA, Krivdin LB
Journal of Physical Chemistry A, 124(36), 7322, 2020 |
| 3 |
Stereochemical Dependences of P-31-C-13 Spin-Spin Coupling Constants of Heterocyclic Phosphines
Rusakov YY, Rusakova IL, Fedorov SV, Gray GA, Krivdin LB
Journal of Physical Chemistry A, 123(29), 6298, 2019 |
| 4 |
Computational Multinuclear NMR of Platinum Complexes: A Relativistic Four-Component Study
Semenov VA, Samultsev DO, Rusakova IL, Krivdin LB
Journal of Physical Chemistry A, 123(23), 4908, 2019 |
| 5 |
Calculation of N-15 NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels
Semenov VA, Samultsev DO, Krivdin LB
Journal of Physical Chemistry A, 123(39), 8417, 2019 |
| 6 |
Calculation of N-15 and P-31 NMR Chemical Shifts of Azoles, Phospholes, and Phosphazoles: A Gateway to Higher Accuracy at Less Computational Cost
Rusakov YY, Rusakova IL, Semenov VA, Samultsev DO, Fedorov SV, Krivdin LB
Journal of Physical Chemistry A, 122(33), 6746, 2018 |
| 7 |
Calculation of Te-125 NMR Chemical Shifts at the Full Four-Component Relativistic Level with Taking into Account Solvent and Vibrational Corrections: A Gateway to Better Agreement with Experiment
Rusakova IL, Rusakov YY, Krivdin LB
Journal of Physical Chemistry A, 121(25), 4793, 2017 |
| 8 |
Relativistic Environmental Effects in Si-29 NMR Chemical Shifts of Halosilanes: Light Nucleus, Heavy Environment
Fedorov SV, Rusakov YY, Krivdin LB
Journal of Physical Chemistry A, 119(22), 5778, 2015 |
| 9 |
Orange to black electrochromic behaviour in poly (2-(2-thienyl)-1H-pyrrole) thin films
Pozo-Gonzalo C, Pomposo JA, Alduncin JA, Salsamendi M, Mikhaleva AI, Krivdin LB, Trofimov BA
Electrochimica Acta, 52(14), 4784, 2007 |
