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Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides

机译：核自旋转动常数的四分量相对论密度泛函理论计算：p-块氢化物的相对论效应

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Komorovsky Stanislav; Repisky Michal; Malkin Elena; Demissie Taye Beyene; Ruud Kenneth;
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年度 2015
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1. Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides [J] . Komorovsky Stanislav, Repisky Michal, Malkin Elena, Journal of chemical theory and computation: JCTC . 2015,第8期

机译：自旋旋转常数的四分量相对论密度泛函理论计算：p嵌段氢化物的相对论效应
2. Cu-63 and Au-197 nuclear quadrupole moments from four-component relativistic density-functional calculations using correct long-range exchange [J] . Thierfelder C, Schwerdtfeger P, Saue T Physical Review, A. Atomic, molecular, and optical physics . 2007,第3aPta2期

机译：使用正确的远距离交换从四组分相对论密度函数计算中获得Cu-63和Au-197核四极矩
3. Cu-63 and Au-197 nuclear quadrupole moments from four-component relativistic density-functional calculations using correct long-range exchange [J] . Thierfelder C, Schwerdtfeger P, Saue T Physical Review, A. Atomic, molecular, and optical physics . 2007,第3aPta2期

机译：使用正确的远距离交换从四组分相对论密度函数计算中获得Cu-63和Au-197核四极矩
4. Relativistic Effects in Non-relativistic Calculations of Electroweak Cross Sections [C] . G. Orlandini, N. Rocco, A. Lovato, International Conference on Few-Body Problems in Physics . 2020

机译：Electroweak横截面非相对论计算中的相对论作用
5. Dynamical Effects on Nuclear Magnetic Resonance Properties via Quantum Molecular Dynamics and Relativistic Density Functional Theory [D] . Marchenko, Alexander 2018

机译：量子分子动力学和相对论密度泛函理论对核磁共振特性的动力学影响
6. Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: ReF62− and IrF62− [O] . Pi A. B. Haase, Dr. Michal Repisky, Dr. Stanislav Komorovsky, -1

机译：5d六氟配合物ReF6 2-和IrF6 2-的超精细偶合常数的相对论DFT计算
7. A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis [O] . Olejniczak, Małgorzata, Bast, Radovan, Saue, Trond, 2012

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Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides

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