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Optical Vernier Effect: Recent Advances and Developments

Laser & photonics reviews, 2021-07, Vol.15 (7), p.n/a

2021

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Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations

The Journal of chemical physics, 2022-08, Vol.157 (7), p.074313-074313

2022

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Paulo Freire: Review of "The Pedagogy of the Oppressed" : 1st Edition, Penguin Random House UK, London, 2017

Harm Reduction Journal, 2022-03, Vol.19 (1), p.21-21, Article 21

Gomes, André

2022

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Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb(−Gaunt) Hamiltonian

Journal of chemical theory and computation, 2021-06, Vol.17 (6), p.3583-3598

2021

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Older Age and Time to Medical Assistance Are Associated with Severity and Mortality of Snakebites in the Brazilian Amazon: A Case-Control Study

PloS one, 2015-07, Vol.10 (7), p.e0132237-e0132237

2015

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Equation-of-motion coupled-cluster theory based on the 4-component Dirac–Coulomb(–Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states

The Journal of chemical physics, 2018-11, Vol.149 (17), p.174113-174113

2018

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Generating Airy beams through multimode fibres

Optics express, 2024-02, Vol.32 (5), p.6838-6847

2024

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Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques

Journal of chemical theory and computation, 2022-10, Vol.18 (10), p.5992-6009

2022

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Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

The Journal of chemical physics, 2022-06, Vol.156 (22), p.224108-224108

2022

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Uranium() alkyl cations: synthesis, structures, comparison with thorium() analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity

Chemical science (Cambridge), 2022-11, Vol.13 (46), p.13748-13763

2022

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Frequency-Dependent Quadratic Response Properties and Two-Photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory

Journal of chemical theory and computation, 2023-12, Vol.19 (24), p.9248-9259

2023

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Pharmaceutical and Biomedical Applications of Native and Modified Starch: A Review

Starch - Stärke, 2020-07, Vol.72 (7-8), p.n/a

2020

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Near perfect focusing through multimode fibres

Optics express, 2022-03, Vol.30 (7), p.10645-10663

2022

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Electronic spectra of ytterbium fluoride from relativistic electronic structure calculations

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (39), p.2233-22343

2021

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Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures

Journal of chemical theory and computation, 2021-09, Vol.17 (9), p.5509-5529

2021

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Molecular properties via a subsystem density functional theory formulation: A common framework for electronic embedding

The Journal of chemical physics, 2012-01, Vol.136 (4), p.044104-044104-16

2012

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Severe COVID-19 Recovery Is Associated with Timely Acquisition of a Myeloid Cell Immune-Regulatory Phenotype

Frontiers in immunology, 2021-06, Vol.12, p.691725-691725

2021

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SARS‐CoV2 pneumonia recovery is linked to expansion of innate lymphoid cells type 2 expressing CCR10

European journal of immunology, 2021-12, Vol.51 (12), p.3194-3201

2021

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Core Excitations of Uranyl in Cs2UO2Cl4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations

Inorganic chemistry, 2023-07, Vol.62 (29), p.11589-11601

2023

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Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions

Journal of chemical theory and computation, 2020-09, Vol.16 (9), p.5695-5711

2020

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A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations

International journal of quantum chemistry, 2020-04, Vol.120 (8), p.n/a

2020

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Theoretical study on ThF+, a prospective system in search of time-reversal violation

New journal of physics, 2015-04, Vol.17 (4), p.43005

2015

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Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution via relativistic quantum embedding calculations

Physical chemistry chemical physics : PCCP, 2022-06, Vol.24 (23), p.14390-14407

2022

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Structural, dynamical, and transport properties of the hydrated halides: How do At− bulk properties compare with those of the other halides, from F− to I−?

The Journal of chemical physics, 2016-03, Vol.144 (12), p.124513-124513

2016

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Predictive Simulations of Ionization Energies of Solvated Halide Ions with Relativistic Embedded Equation of Motion Coupled Cluster Theory

Physical review letters, 2018-12, Vol.121 (26), p.266001-266001, Article 266001

2018

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Optical Vernier Effect: Recent Advances and Developments

Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations

Paulo Freire: Review of "The Pedagogy of the Oppressed" : 1st Edition, Penguin Random House UK, London, 2017

Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb(−Gaunt) Hamiltonian

Older Age and Time to Medical Assistance Are Associated with Severity and Mortality of Snakebites in the Brazilian Amazon: A Case-Control Study

Equation-of-motion coupled-cluster theory based on the 4-component Dirac–Coulomb(–Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states

Generating Airy beams through multimode fibres

Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques

Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

Uranium() alkyl cations: synthesis, structures, comparison with thorium() analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity

Frequency-Dependent Quadratic Response Properties and Two-Photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory

Pharmaceutical and Biomedical Applications of Native and Modified Starch: A Review

Near perfect focusing through multimode fibres

Electronic spectra of ytterbium fluoride from relativistic electronic structure calculations

Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures

Molecular properties via a subsystem density functional theory formulation: A common framework for electronic embedding

Severe COVID-19 Recovery Is Associated with Timely Acquisition of a Myeloid Cell Immune-Regulatory Phenotype

SARS‐CoV2 pneumonia recovery is linked to expansion of innate lymphoid cells type 2 expressing CCR10

Core Excitations of Uranyl in Cs2UO2Cl4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations

Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions

A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations

Theoretical study on ThF+, a prospective system in search of time-reversal violation

Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution via relativistic quantum embedding calculations

Structural, dynamical, and transport properties of the hydrated halides: How do At− bulk properties compare with those of the other halides, from F− to I−?

Predictive Simulations of Ionization Energies of Solvated Halide Ions with Relativistic Embedded Equation of Motion Coupled Cluster Theory

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