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Comparison of two efficient approximate Hartee–Fock approaches

Chemical physics letters, 2009-10, Vol.481 (4), p.240-243

2009

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Efficient time-dependent density functional theory approximations for hybrid density functionals: Analytical gradients and parallelization

The Journal of chemical physics, 2011-02, Vol.134 (5), p.054116-054116-14

2011

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Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

The Journal of chemical physics, 2016-09, Vol.145 (11)

2016

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Correlated ab Initio Spin Densities for Larger Molecules: Orbital-Optimized Spin-Component-Scaled MP2 Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-11, Vol.114 (43), p.11768-11781

2010

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Hydrogen Bond Network between Amino Acid Radical Intermediates on the Proton-Coupled Electron Transfer Pathway of E. coli α2 Ribonucleotide Reductase

Journal of the American Chemical Society, 2015-01, Vol.137 (1), p.289-298

2015

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Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics

Journal of chemical theory and computation, 2009-11, Vol.5 (11), p.3060-3073

2009

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Cooperativity in ionic liquids

The Journal of chemical physics, 2006-05, Vol.124 (17), p.174506-174506-12

2006

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Derivation and assessment of relativistic hyperfine-coupling tensors on the basis of orbital-optimized second-order Møller-Plesset perturbation theory and the second-order Douglas-Kroll-Hess transformation

The Journal of chemical physics, 2013-03, Vol.138 (10), p.104102-104102

2013

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Performance of modern density functional theory for the prediction of hyperfine structure: meta-GGA and double hybrid functionals

Molecular physics, 2007-08, Vol.105 (15-16), p.2049-2071

2007

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Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method

Journal of chemical theory and computation, 2010-08, Vol.6 (8), p.2325-2338

2010

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3,4,5,6-Tetrafluorophenylnitren-2-yl: A Ground-State Quartet Triradical

Chemistry : a European journal, 2010-04, Vol.16 (15), p.4496-4506

2010

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Efficient implementation of the analytic second derivatives of Hartree-Fock and hybrid DFT energies: a detailed analysis of different approximations

Molecular physics, 2015-07, Vol.113 (13-14), p.1961-1977

2015

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Choline Saccharinate and Choline Acesulfamate: Ionic Liquids with Low Toxicities

The journal of physical chemistry. B, 2007-05, Vol.111 (19), p.5254-5263

2007

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Derivation and assessment of relativistic hyperfine-coupling tensors on the basis of orbital-optimized second-order Moeller--Plesset perturbation theory and the second-order Douglas--Kroll--Hess transformation

The Journal of chemical physics, 2013-01, Vol.138 (10)

2013

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2,3,5,6-Tetrafluorophenylnitren-4-yl: Electron Paramagnetic Resonance Spectroscopic Characterization of a Quartet-Ground-State Nitreno Radical

Journal of the American Chemical Society, 2008-04, Vol.130 (13), p.4396-4403

2008

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Quasi-Reversible Chloride Adsorption/Desorption through a Polycationic Organic Film on Cu(100)

Journal of physical chemistry. C, 2007-11, Vol.111 (44), p.16428-16436

2007

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Surface redox chemistry of adsorbed viologens on Cu(100)

New journal of chemistry, 2006-01, Vol.30 (10), p.1439-1451

2006

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Choline Saccharinate and Choline Acesulfamate: Ionic Liquids with Low Toxicities

The journal of physical chemistry. B, 2007-01, Vol.111 (19), p.5254-5263

2007

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Viologens on Anion-Modified Copper Surfaces: Self-Assembled Structures and Corrosion Inhibition

Meeting abstracts (Electrochemical Society), 2006-06, Vol.MA2006-02 (44), p.1942-1942

2006

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Histopathologically confirmed radiation-induced damage of the brain - an in-depth analysis of radiation parameters and spatio-temporal occurrence

Radiation oncology (London, England), 2023-12, Vol.18 (1), p.198-198, Article 198

2023

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Facial Emotion Recognition Abilities in Women Experiencing Eating Disorders

Psychosomatic medicine, 2019-02, Vol.81 (2), p.155-164

2019

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The tissue-type plasminogen activator― plasminogen activator inhibitor 1 complex promotes neurovascular injury in brain trauma: evidence from mice and humans

Brain (London, England : 1878), 2012-11, Vol.135 (Pt 11), p.3251-3264

2012

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Microfluidic post method for 3-dimensional modeling of platelet-leukocyte interactions

Analyst (London), 2022-03, Vol.147 (6), p.1222-1235

2022

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Environmental Enrichment Attenuates Traumatic Brain Injury: Induced Neuronal Hyperexcitability in Supragranular Layers of Sensory Cortex

Journal of neurotrauma, 2016-06, Vol.33 (11), p.1084-1101

2016

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Rule Discovery from Breast Cancer Risk Factors using Association Rule Mining

2018 IEEE International Conference on Big Data (Big Data), 2018, p.2433-2441

2018

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Comparison of two efficient approximate Hartee–Fock approaches

Efficient time-dependent density functional theory approximations for hybrid density functionals: Analytical gradients and parallelization

Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

Correlated ab Initio Spin Densities for Larger Molecules: Orbital-Optimized Spin-Component-Scaled MP2 Method

Hydrogen Bond Network between Amino Acid Radical Intermediates on the Proton-Coupled Electron Transfer Pathway of E. coli α2 Ribonucleotide Reductase

Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics

Cooperativity in ionic liquids

Derivation and assessment of relativistic hyperfine-coupling tensors on the basis of orbital-optimized second-order Møller-Plesset perturbation theory and the second-order Douglas-Kroll-Hess transformation

Performance of modern density functional theory for the prediction of hyperfine structure: meta-GGA and double hybrid functionals

Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method

3,4,5,6-Tetrafluorophenylnitren-2-yl: A Ground-State Quartet Triradical

Efficient implementation of the analytic second derivatives of Hartree-Fock and hybrid DFT energies: a detailed analysis of different approximations

Choline Saccharinate and Choline Acesulfamate: Ionic Liquids with Low Toxicities

Derivation and assessment of relativistic hyperfine-coupling tensors on the basis of orbital-optimized second-order Moeller--Plesset perturbation theory and the second-order Douglas--Kroll--Hess transformation

2,3,5,6-Tetrafluorophenylnitren-4-yl: Electron Paramagnetic Resonance Spectroscopic Characterization of a Quartet-Ground-State Nitreno Radical

Quasi-Reversible Chloride Adsorption/Desorption through a Polycationic Organic Film on Cu(100)

Surface redox chemistry of adsorbed viologens on Cu(100)

Choline Saccharinate and Choline Acesulfamate: Ionic Liquids with Low Toxicities

Viologens on Anion-Modified Copper Surfaces: Self-Assembled Structures and Corrosion Inhibition

Histopathologically confirmed radiation-induced damage of the brain - an in-depth analysis of radiation parameters and spatio-temporal occurrence

Facial Emotion Recognition Abilities in Women Experiencing Eating Disorders

The tissue-type plasminogen activator― plasminogen activator inhibitor 1 complex promotes neurovascular injury in brain trauma: evidence from mice and humans

Microfluidic post method for 3-dimensional modeling of platelet-leukocyte interactions

Environmental Enrichment Attenuates Traumatic Brain Injury: Induced Neuronal Hyperexcitability in Supragranular Layers of Sensory Cortex

Rule Discovery from Breast Cancer Risk Factors using Association Rule Mining

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