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Escherichia coli has an undiscovered ability to inhibit the growth of both Gram-negative and Gram-positive bacteria

Scientific reports, 2024-03, Vol.14 (1), p.7420-7420, Article 7420

2024

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Near‐Room‐Temperature Magnetoelectric Coupling via Spin Crossover in an Iron(II) Complex

Angewandte Chemie (International ed.), 2022-12, Vol.61 (52), p.e202214335-n/a

International ed. in English, 2022

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Annealing‐Induced Changes in the Atomic Structure of Amorphous Silica, Germania, and Tantala Using Accelerated Molecular Dynamics

physica status solidi (b), 2021-09, Vol.258 (9), p.n/a

2021

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Water adsorption on the LaMnO3 surface

The Journal of chemical physics, 2016-02, Vol.144 (6), p.064701-064701

2016

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Magnetoelectric behavior via a spin state transition

Nature communications, 2019-09, Vol.10 (1), p.4043-8, Article 4043

2019

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Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations

The Journal of chemical physics, 2020-06, Vol.152 (23), p.234115-234115

2020

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Three Jahn-Teller States of Matter in Spin-Crossover System Mn(taa)

Physical review letters, 2020-06, Vol.124 (22), p.1-227201, Article 227201

2020

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Analysis of two-level systems and mechanical loss in amorphous ZrO2-doped Ta2O5 by non-cage-breaking and cage-breaking transitions

The Journal of chemical physics, 2021-05, Vol.154 (17), p.174502-174502

2021

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Physisorption and Chemisorption on Silver Clusters

Chemphyschem, 2015-03, Vol.16 (4), p.855-865

2015

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Molecular modeling and computational analyses suggests that the Sinorhizobium meliloti periplasmic regulator protein ExoR adopts a superhelical fold and is controlled by a unique mechanism of proteolysis

Protein science, 2015-03, Vol.24 (3), p.319-327

2015

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Application of Quantum Computing to Biochemical Systems: A Look to the Future

Frontiers in chemistry, 2020-11, Vol.8, p.587143-587143

2020

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Ascending Migration of Endophytic Rhizobia, from Roots to Leaves, inside Rice Plants and Assessment of Benefits to Rice Growth Physiology

Applied and Environmental Microbiology, 2005-11, Vol.71 (11), p.7271-7278

2005

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Phylogenetic Co-Occurrence of ExoR, ExoS, and ChvI, Components of the RSI Bacterial Invasion Switch, Suggests a Key Adaptive Mechanism Regulating the Transition between Free-Living and Host-Invading Phases in Rhizobiales

PloS one, 2015-08, Vol.10 (8), p.e0135655-e0135655

2015

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Quantum-Inspired Algorithm for the Factorized Form of Unitary Coupled Cluster Theory

Journal of chemical theory and computation, 2021-02, Vol.17 (2), p.841-847

2021

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All-electron GW quasiparticle band structures of group 14 nitride compounds

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044709-044709

2014

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Scattering solution of an interacting Hamiltonian for the electronic control of molecular spin qubits

Physical review. A, 2023-04, Vol.107 (4), Article 042423

2023

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Electron-nuclear decoupling at a spin clock transition

Communications physics, 2023-02, Vol.6 (1), p.38-8, Article 38

2023

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Flexibility of the factorized form of the unitary coupled cluster Ansatz

The Journal of chemical physics, 2022-01, Vol.156 (4), p.044106-044106

2022

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Microsymbionts of Phaseolus vulgaris in acid and alkaline soils of Mexico

Systematic and applied microbiology, 2014-12, Vol.37 (8), p.605-612

2014

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Search for Toroidal Ground State and Magnetoelectric Effects in Molecular Spin Triangles with Antiferromagnetic Exchange

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-05, Vol.127 (17), p.3814-3823

2023

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First-principles calculation of gate-tunable ferromagnetism in magic-angle twisted bilayer graphene under pressure

Journal of physics. Condensed matter, 2022-09, Vol.34 (38), p.385501

2022

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Performance Enhancement of APW+lo Calculations by Simplest Separation of Concerns

Computation, 2022-03, Vol.10 (3), p.43

2022

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Adsorption of small molecules on silver clusters

The Journal of chemical physics, 2012-01, Vol.136 (2), p.024314-024314-8

2012

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Molecular analogue of the perovskite repeating unit and evidence for direct MnIII-CeIV-MnIII exchange coupling pathway

Nature communications, 2017-09, Vol.8 (1), p.1-6, Article 500

2017

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All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package

The Journal of chemical physics, 2023-06, Vol.158 (23)

2023

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Escherichia coli has an undiscovered ability to inhibit the growth of both Gram-negative and Gram-positive bacteria

Near‐Room‐Temperature Magnetoelectric Coupling via Spin Crossover in an Iron(II) Complex

Annealing‐Induced Changes in the Atomic Structure of Amorphous Silica, Germania, and Tantala Using Accelerated Molecular Dynamics

Water adsorption on the LaMnO3 surface

Magnetoelectric behavior via a spin state transition

Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations

Three Jahn-Teller States of Matter in Spin-Crossover System Mn(taa)

Analysis of two-level systems and mechanical loss in amorphous ZrO2-doped Ta2O5 by non-cage-breaking and cage-breaking transitions

Physisorption and Chemisorption on Silver Clusters

Molecular modeling and computational analyses suggests that the Sinorhizobium meliloti periplasmic regulator protein ExoR adopts a superhelical fold and is controlled by a unique mechanism of proteolysis

Application of Quantum Computing to Biochemical Systems: A Look to the Future

Ascending Migration of Endophytic Rhizobia, from Roots to Leaves, inside Rice Plants and Assessment of Benefits to Rice Growth Physiology

Phylogenetic Co-Occurrence of ExoR, ExoS, and ChvI, Components of the RSI Bacterial Invasion Switch, Suggests a Key Adaptive Mechanism Regulating the Transition between Free-Living and Host-Invading Phases in Rhizobiales

Quantum-Inspired Algorithm for the Factorized Form of Unitary Coupled Cluster Theory

All-electron GW quasiparticle band structures of group 14 nitride compounds

Scattering solution of an interacting Hamiltonian for the electronic control of molecular spin qubits

Electron-nuclear decoupling at a spin clock transition

Flexibility of the factorized form of the unitary coupled cluster Ansatz

Microsymbionts of Phaseolus vulgaris in acid and alkaline soils of Mexico

Search for Toroidal Ground State and Magnetoelectric Effects in Molecular Spin Triangles with Antiferromagnetic Exchange

First-principles calculation of gate-tunable ferromagnetism in magic-angle twisted bilayer graphene under pressure

Performance Enhancement of APW+lo Calculations by Simplest Separation of Concerns

Adsorption of small molecules on silver clusters

Molecular analogue of the perovskite repeating unit and evidence for direct MnIII-CeIV-MnIII exchange coupling pathway

All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package

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