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Diagonalization-free self-consistent field approach with localized molecular orbitals

Theoretical chemistry accounts, 2021-11, Vol.140 (11), Article 152

2021

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Taking the multiplicity inside the loop: active learning for structural and spin multiplicity elucidation of atomic clusters

Theoretical chemistry accounts, 2021-08, Vol.140 (8), Article 116

2021

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First-principle polarizabilities of nanosystems from auxiliary density perturbation theory with MINRES

Theoretical chemistry accounts, 2022-02, Vol.141 (2), Article 7

2022

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Implementation of the parallel-tempering molecular dynamics method in deMon2k and application to the water hexamer

Theoretical chemistry accounts, 2021-07, Vol.140 (7), Article 95

2021

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Symmetry-adapted density fitting in auxiliary density functional theory

Theoretical chemistry accounts, 2021-03, Vol.140 (3), Article 32

2021

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A new active learning approach for adsorbate–substrate structural elucidation in silico

Journal of molecular modeling, 2022-06, Vol.28 (6), p.178-178, Article 178

2022

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Informationen zur Darmkrebsfrüherkennung: Aufbau eines Themenmoduls für das Frauengesundheitsportal der Bundeszentrale für gesundheitliche Aufklärung (BZgA)

Bundesgesundheitsblatt, Gesundheitsforschung, Gesundheitsschutz, 2014-03, Vol.57 (3), p.380-387

2014

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The melting limit in sodium clusters

Theoretical chemistry accounts, 2018-03, Vol.137 (3), p.1-8, Article 45

2018

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Massively Parallel Rule-Based Interpreter Execution on GPUs Using Thread Compaction

International journal of parallel programming, 2020-08, Vol.48 (4), p.675-691

2020

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Seizures during antidepressant treatment in psychiatric inpatients—results from the transnational pharmacovigilance project “Arzneimittelsicherheit in der Psychiatrie” (AMSP) 1993–2008

Psychopharmacology, 2013-11, Vol.230 (2), p.191-201

2013

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Accuracy of auxiliary density functional theory hybrid calculations for activation and reaction enthalpies of pericyclic reactions

Journal of molecular modeling, 2018-09, Vol.24 (9), p.223-9, Article 223

2018

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Static and dynamic polarizabilities of oligothiophenes

Theoretical chemistry accounts, 2016-09, Vol.135 (9), p.1-9, Article 230

2016

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Exchange-correlation kernel for perturbation dependent auxiliary functions in auxiliary density perturbation theory

Journal of molecular modeling, 2024-09, Vol.30 (9), p.302, Article 302

2024

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Global optimization of ~ 1 nm MoS2 and CaCO3 nanoparticles

Theoretical chemistry accounts, 2021-04, Vol.140 (4), Article 44

2021

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A flow based pruning scheme for enumerative equitable coloring algorithms

Annals of operations research, 2019, Vol.272 (1-2), p.3-28

2019

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A cooperative quay crane-based stochastic model to estimate vessel handling time

Flexible services and manufacturing journal, 2017-03, Vol.29 (1), p.97-124

2017

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Individual behavioral differences in recovery from abdominal sepsis in rats

Inflammation research, 2009-05, Vol.58 (5), p.248-256

2009

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Improving recognition of potential tissue donors: a quality improvement project by a hospitalist in training in The Hague, The Netherlands

Cell and tissue banking, 2018-12, Vol.19 (4), p.777-782

2018

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Effects on Household Labor of Temporary Out-migration by Male Household Heads in Nicaragua and Peru: an Analysis of Spot-check Time Allocation Data Using Mixed-effects Models

Human ecology : an interdisciplinary journal, 2013-04, Vol.41 (2), p.221-237

2013

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Robust minimum cost flow problem under consistent flow constraints

Annals of operations research, 2022-05, Vol.312 (2), p.691-722

2022

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Associations among traumatic experiences, threat exposure, and mental health in Pakistani journalists

Journal of traumatic stress, 2022-04, Vol.35 (2), p.581-592

2022

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Sickness behavior of rats with abdominal sepsis can be improved by antibiotic and G-CSF prophylaxis in clinic modeling randomized trials

Inflammation research, 2004-12, Vol.53 (12), p.697-705

2004

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A Note on Exact Algorithms for Vertex Ordering Problems on Graphs

Theory of computing systems, 2012-04, Vol.50 (3), p.420-432

2012

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The analysis of batch sojourn-times in polling systems

Queueing systems, 2017-04, Vol.85 (3-4), p.313-335

2017

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A branch and bound algorithm for robust binary optimization with budget uncertainty

Mathematical programming computation, 2023-06, Vol.15 (2), p.269-326

2023

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Diagonalization-free self-consistent field approach with localized molecular orbitals

Taking the multiplicity inside the loop: active learning for structural and spin multiplicity elucidation of atomic clusters

First-principle polarizabilities of nanosystems from auxiliary density perturbation theory with MINRES

Implementation of the parallel-tempering molecular dynamics method in deMon2k and application to the water hexamer

Symmetry-adapted density fitting in auxiliary density functional theory

A new active learning approach for adsorbate–substrate structural elucidation in silico

Informationen zur Darmkrebsfrüherkennung: Aufbau eines Themenmoduls für das Frauengesundheitsportal der Bundeszentrale für gesundheitliche Aufklärung (BZgA)

The melting limit in sodium clusters

Massively Parallel Rule-Based Interpreter Execution on GPUs Using Thread Compaction

Seizures during antidepressant treatment in psychiatric inpatients—results from the transnational pharmacovigilance project “Arzneimittelsicherheit in der Psychiatrie” (AMSP) 1993–2008

Accuracy of auxiliary density functional theory hybrid calculations for activation and reaction enthalpies of pericyclic reactions

Static and dynamic polarizabilities of oligothiophenes

Exchange-correlation kernel for perturbation dependent auxiliary functions in auxiliary density perturbation theory

Global optimization of ~ 1 nm MoS2 and CaCO3 nanoparticles

A flow based pruning scheme for enumerative equitable coloring algorithms

A cooperative quay crane-based stochastic model to estimate vessel handling time

Individual behavioral differences in recovery from abdominal sepsis in rats

Improving recognition of potential tissue donors: a quality improvement project by a hospitalist in training in The Hague, The Netherlands

Effects on Household Labor of Temporary Out-migration by Male Household Heads in Nicaragua and Peru: an Analysis of Spot-check Time Allocation Data Using Mixed-effects Models

Robust minimum cost flow problem under consistent flow constraints

Associations among traumatic experiences, threat exposure, and mental health in Pakistani journalists

Sickness behavior of rats with abdominal sepsis can be improved by antibiotic and G-CSF prophylaxis in clinic modeling randomized trials

A Note on Exact Algorithms for Vertex Ordering Problems on Graphs

The analysis of batch sojourn-times in polling systems

A branch and bound algorithm for robust binary optimization with budget uncertainty

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