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Journal of Chemical Theory and Computation
|
December 23, 2016
Automatic Generation of Auxiliary Basis Sets
Georgi L Stoychev, Alexander A Auer, Frank Neese
Journal of Chemical Theory and Computation
|
July 27, 2018
Efficient and Accurate Prediction of Nuclear Magnetic Resonance Shielding Tensors with Double-Hybrid Density Functional Theory
Georgi L Stoychev, Alexander A Auer, Frank Neese
Journal of Chemical Theory and Computation
|
January 5, 2018
Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals
Georgi L Stoychev, Alexander A Auer, Róbert Izsák, et al.
Journal of Chemical Theory and Computation
|
March 30, 2022
High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding Constants
Corentin Poidevin, Georgi L Stoychev, Christoph Riplinger, et al.
The Journal of Chemical Physics
|
May 4, 2021
DLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings
Georgi L Stoychev, Alexander A Auer, Jürgen Gauss, et al.
Journal of Chemical Theory and Computation
|
September 23, 2020
Computation of NMR Shielding Constants for Solids Using an Embedded Cluster Approach with DFT, Double-Hybrid DFT, and MP2
Anneke Dittmer, Georgi L Stoychev, Dimitrios Maganas, et al.
Angewandte Chemie (International Ed. in English)
|
May 7, 2025
Electronic Structure Origins of Distinct Hydrogenation Activities Observed for Linear and Bent Bimetallic μ-Nitrides
Mengdi Huang, Luyang Sun, Zihe Song, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
December 23, 2016
Automatic Generation of Auxiliary Basis Sets
Georgi L Stoychev, Alexander A Auer, Frank Neese
Journal of Chemical Theory and Computation
|
July 27, 2018
Efficient and Accurate Prediction of Nuclear Magnetic Resonance Shielding Tensors with Double-Hybrid Density Functional Theory
Georgi L Stoychev, Alexander A Auer, Frank Neese
Journal of Chemical Theory and Computation
|
January 5, 2018
Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals
Georgi L Stoychev, Alexander A Auer, Róbert Izsák, et al.
Journal of Chemical Theory and Computation
|
March 30, 2022
High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding Constants
Corentin Poidevin, Georgi L Stoychev, Christoph Riplinger, et al.
The Journal of Chemical Physics
|
May 4, 2021
DLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings
Georgi L Stoychev, Alexander A Auer, Jürgen Gauss, et al.
Journal of Chemical Theory and Computation
|
September 23, 2020
Computation of NMR Shielding Constants for Solids Using an Embedded Cluster Approach with DFT, Double-Hybrid DFT, and MP2
Anneke Dittmer, Georgi L Stoychev, Dimitrios Maganas, et al.
Angewandte Chemie (International Ed. in English)
|
May 7, 2025
Electronic Structure Origins of Distinct Hydrogenation Activities Observed for Linear and Bent Bimetallic μ-Nitrides
Mengdi Huang, Luyang Sun, Zihe Song, et al.
Page
of 1