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Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study

The Journal of chemical physics, 2023-02, Vol.158 (5), p.054305-054305

2023

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Interatomic potentials for atomistic simulations of the Ti-Al system

Physical review. B, Condensed matter, 2003-07, Vol.68 (2), Article 024102

2003

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Ti4- and Ni4‑Doped Defective Graphene Nanoplatelets as Efficient Materials for Hydrogen Storage

Journal of physical chemistry. C, 2016-03, Vol.120 (9), p.5001-5009

2016

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Biomaterials for mRNA delivery

Biomaterials science, 2015-12, Vol.3 (12), p.1519-1533

2015

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In Vitro and In Vivo Supramolecular Modification of Biomembranes Using a Lipidated Coiled-Coil Motif

Angewandte Chemie (International ed.), 2013-12, Vol.52 (52), p.14247-14251

International ed. in English, 2013

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Electronic and Structural Properties of C60 and Sc3N@C80 Supported on Graphene Nanoflakes

Journal of physical chemistry. C, 2016-11, Vol.120 (45), p.26083-26092

2016

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Improvements in the orbitalwise scaling down of Perdew–Zunger self-interaction correction in many-electron regions

The Journal of chemical physics, 2020-05, Vol.152 (17), p.174112-174112

2020

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Cellular imaging using biocompatible dendrimer-functionalized graphene oxide-based fluorescent probe anchored with magnetic nanoparticles

Nanotechnology, 2012-10, Vol.23 (41), p.415101-1-8

2012

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Controlling the rate of coiled coil driven membrane fusion

Chemical communications (Cambridge, England), 2013-01, Vol.49 (35), p.3649-3651

2013

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How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?

The Journal of chemical physics, 2024-02, Vol.160 (8)

2024

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Importance of self-interaction-error removal in density functional calculations on water cluster anions

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (7), p.3789-3799

2020

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Charge transfer excitations in cofacial fullerene-porphyrin complexes

The Journal of chemical physics, 2012-08, Vol.137 (8), p.084317-084317

2012

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Reactive Silver Oxalate Ink Composition with Enhanced Curing Conditions for Flexible Substrates

ACS applied materials & interfaces, 2018-01, Vol.10 (4), p.3830-3837

2018

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Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-interaction corrected methods

The Journal of chemical physics, 2020-10, Vol.153 (16), p.164304-164304

2020

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Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional

The Journal of chemical physics, 2019-10, Vol.151 (15), p.154105-154105

2019

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Self-interaction error overbinds water clusters but cancels in structural energy differences

Proceedings of the National Academy of Sciences - PNAS, 2020-05, Vol.117 (21), p.11283-11288

2020

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Local self-interaction correction method with a simple scaling factor

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (3), p.246-2418

2021

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Interplay between Lipid Interaction and Homo-coiling of Membrane-Tethered Coiled-Coil Peptides

Langmuir, 2015-09, Vol.31 (36), p.9953-9964

2015

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Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations

The Journal of chemical physics, 2021-03, Vol.154 (11), p.114305-114305

2021

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Hydrogen storage in bimetallic Ti-Al sub-nanoclusters supported on graphene

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (31), p.21174-21184

2017

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Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

The Journal of chemical physics, 2015-08, Vol.143 (8), p.084306-084306

2015

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A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction

The Journal of chemical physics, 2019-12, Vol.151 (21), p.214108-214108

2019

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Bioinspired Magnetite Crystallization Directed by Random Copolypeptides

Advanced functional materials, 2015-02, Vol.25 (5), p.711-719

2015

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Self-consistent implementation of locally scaled self-interaction-correction method

The Journal of chemical physics, 2023-02, Vol.158 (6), p.064114-064114

2023

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Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods

The Journal of chemical physics, 2023-04, Vol.158 (16)

2023

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Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study

Interatomic potentials for atomistic simulations of the Ti-Al system

Ti4- and Ni4‑Doped Defective Graphene Nanoplatelets as Efficient Materials for Hydrogen Storage

Biomaterials for mRNA delivery

In Vitro and In Vivo Supramolecular Modification of Biomembranes Using a Lipidated Coiled-Coil Motif

Electronic and Structural Properties of C60 and Sc3N@C80 Supported on Graphene Nanoflakes

Improvements in the orbitalwise scaling down of Perdew–Zunger self-interaction correction in many-electron regions

Cellular imaging using biocompatible dendrimer-functionalized graphene oxide-based fluorescent probe anchored with magnetic nanoparticles

Controlling the rate of coiled coil driven membrane fusion

How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?

Importance of self-interaction-error removal in density functional calculations on water cluster anions

Charge transfer excitations in cofacial fullerene-porphyrin complexes

Reactive Silver Oxalate Ink Composition with Enhanced Curing Conditions for Flexible Substrates

Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-interaction corrected methods

Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional

Self-interaction error overbinds water clusters but cancels in structural energy differences

Local self-interaction correction method with a simple scaling factor

Interplay between Lipid Interaction and Homo-coiling of Membrane-Tethered Coiled-Coil Peptides

Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations

Hydrogen storage in bimetallic Ti-Al sub-nanoclusters supported on graphene

Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction

Bioinspired Magnetite Crystallization Directed by Random Copolypeptides

Self-consistent implementation of locally scaled self-interaction-correction method

Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods

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