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Exact-Two-Component Relativistic Multireference Second-Order Perturbation Theory

Journal of chemical theory and computation, 2022-05, Vol.18 (5), p.2983-2992

2022

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Analysing Patients with Traumas: Separation, Illness, Violence

Henningsen, Franziska

1st edition, 2012

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Nest boxes buffer the effects of climate on breeding performance in an African urban raptor

PloS one, 2020-06, Vol.15 (6), p.e0234503

2020

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Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac–Coulomb–Breit-Parameterized Effective Spin–Orbit Coupling

Journal of chemical theory and computation, 2023-09, Vol.19 (17), p.5785-5790

2023

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The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations

The Journal of chemical physics, 2018-09, Vol.149 (9), p.094108-094108

2018

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Crowdsourcing a Collective Sense of Place

PloS one, 2016-04, Vol.11 (4), p.e0152932-e0152932

2016

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Perspective on Kramers symmetry breaking and restoration in relativistic electronic structure methods for open-shell systems

The Journal of chemical physics, 2020-09, Vol.153 (9), p.090903-090903

2020

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Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence

The Journal of chemical physics, 2016-10, Vol.145 (16), p.164103-164103

2016

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Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L‑Edge X‑ray Absorption Spectra

Journal of chemical theory and computation, 2022-01, Vol.18 (1), p.141-150

2022

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The quantum-Ehrenfest method with the inclusion of an IR pulse: Application to electron dynamics of the allene radical cation

The Journal of chemical physics, 2020-07, Vol.153 (3), p.031102-031102

2020

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Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (12), p.2498-2506

2024

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Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space

Journal of chemical theory and computation, 2020-05, Vol.16 (5), p.2975-2984

2020

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Combining radar and direct observation to estimate pelican collision risk at a proposed wind farm on the Cape west coast, South Africa

PloS one, 2018-02, Vol.13 (2), p.e0192515-e0192515

2018

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Overdestabilization vs Overstabilization in the Theoretical Analysis of f‑Orbital Covalency

Journal of the American Chemical Society, 2024-05, Vol.146 (17), p.12030-12039

2024

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Exact-Two-Component Multiconfiguration Pair-Density Functional Theory

Journal of chemical theory and computation, 2022-05, Vol.18 (5), p.2947-2954

2022

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Tick-borne pathogens in Ixodes ricinus ticks collected from migratory birds in southern Norway

PloS one, 2020-04, Vol.15 (4), p.e0230579

2020

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De novo variants in GABRA2 and GABRA5 alter receptor function and contribute to early-onset epilepsy

Brain (London, England : 1878), 2018-08, Vol.141 (8), p.2392-2405

2018

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SPaCE Swab: Point-of-Care Sensor for Simple and Rapid Detection of Acute Wound Infection

ACS sensors, 2020-08, Vol.5 (8), p.2652-2657

2020

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The “Hole” Story in Ionized Water from the Perspective of Ehrenfest Dynamics

The journal of physical chemistry letters, 2020-11, Vol.11 (22), p.9946-9951

2020

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Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method

Journal of chemical theory and computation, 2019-05, Vol.15 (5), p.2974-2982

2019

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Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron–Nuclear Dynamics of Intersystem Crossing

The journal of physical chemistry letters, 2023-07, Vol.14 (26), p.6127-6134

2023

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The influence of a second ground electrode on hydrogen peroxide production from an atmospheric pressure argon plasma jet and correlation to antibacterial efficacy and mammalian cell cytotoxicity

Journal of physics. D, Applied physics, 2022-03, Vol.55 (12), p.125207

2022

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Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations

The Journal of chemical physics, 2016-03, Vol.144 (10), p.104110-104110

2016

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Microbial assembly and co-occurrence network in an aquifer under press perturbation

Annals of microbiology, 2022-12, Vol.72 (1), p.1-13, Article 41

2022

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A large-scale experiment demonstrates that line marking reduces power line collision mortality for large terrestrial birds, but not bustards, in the Karoo, South Africa

Ornithological Applications, 2021-02, Vol.123 (1)

2021

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Exact-Two-Component Relativistic Multireference Second-Order Perturbation Theory

Analysing Patients with Traumas: Separation, Illness, Violence

Nest boxes buffer the effects of climate on breeding performance in an African urban raptor

Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac–Coulomb–Breit-Parameterized Effective Spin–Orbit Coupling

The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations

Crowdsourcing a Collective Sense of Place

Perspective on Kramers symmetry breaking and restoration in relativistic electronic structure methods for open-shell systems

Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence

Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L‑Edge X‑ray Absorption Spectra

The quantum-Ehrenfest method with the inclusion of an IR pulse: Application to electron dynamics of the allene radical cation

Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF

Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space

Combining radar and direct observation to estimate pelican collision risk at a proposed wind farm on the Cape west coast, South Africa

Overdestabilization vs Overstabilization in the Theoretical Analysis of f‑Orbital Covalency

Exact-Two-Component Multiconfiguration Pair-Density Functional Theory

Tick-borne pathogens in Ixodes ricinus ticks collected from migratory birds in southern Norway

De novo variants in GABRA2 and GABRA5 alter receptor function and contribute to early-onset epilepsy

SPaCE Swab: Point-of-Care Sensor for Simple and Rapid Detection of Acute Wound Infection

The “Hole” Story in Ionized Water from the Perspective of Ehrenfest Dynamics

Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method

Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron–Nuclear Dynamics of Intersystem Crossing

The influence of a second ground electrode on hydrogen peroxide production from an atmospheric pressure argon plasma jet and correlation to antibacterial efficacy and mammalian cell cytotoxicity

Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations

Microbial assembly and co-occurrence network in an aquifer under press perturbation

A large-scale experiment demonstrates that line marking reduces power line collision mortality for large terrestrial birds, but not bustards, in the Karoo, South Africa

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