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Mass-Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of H2O, Na, and K

Astrophysical journal. Letters, 2019-12, Vol.887 (1)

2019

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Game of basis sets pinpointing charge transfer states: example for LiH

Theoretical chemistry accounts, 2023-10, Vol.142 (10), Article 95

2023

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Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-05, Vol.121 (19), p.3746-3756

2017

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Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures

Molecules (Basel, Switzerland), 2022-09, Vol.27 (18), p.5958

2022

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The spin-partitioned total position-spread tensor: An application to Heisenberg spin chains

The Journal of chemical physics, 2015-12, Vol.143 (24), p.244308-244308

2015

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The total position-spread tensor: spin partition

The Journal of chemical physics, 2015-03, Vol.142 (9), p.094113-094113

2015

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Ab initio study of methyl-bromide photodissociation in the A ̃ band

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244305-244305-10

2009

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The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study

Advances in Condensed Matter Physics, 2018-01, Vol.2018 (2018), p.1-14

2018

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A Wigner molecule at extremely low densities: a numerically exact study

SciPost Physics Core, 2019-11, Vol.1 (1), p.001, Article 001

2019

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Ab initio study of valence and Rydberg states of CH3Br

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244306-244306

2009

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Accurate Ab Initio Calculations for LiH and its Ions, LiH+ and LiH

Theoretical chemistry accounts, 2006-09, Vol.116 (4-5), p.566-575

2006

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The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF, and InCl

The Journal of chemical physics, 1996-07, Vol.105 (3), p.1052-1059

1996

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Publisher's Note: "The total position-spread tensor: Spin partition" [J. Chem. Phys. 142, 094113 (2015)]

The Journal of chemical physics, 2015-03, Vol.142 (12), p.129902-129902

2015

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New study of the line profiles of sodium perturbed by H 2

Astronomy and astrophysics (Berlin), 2019-08, Vol.628 (A120), p.A120

2019

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Product vibrational distributions in CH3Br photodissociation

Chemical physics letters, 2009-09, Vol.480 (1-3), p.62-66

2009

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The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation

Advances in Condensed Matter Physics, 2015-01, Vol.2015 (2015), p.420-433

2015

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Rotational Transitions in the N 2 + Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study

Chemphyschem, 2024-01, Vol.25 (1), p.e202300469

2024

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Cover Feature: Rotational Transitions in the N2+ Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study (ChemPhysChem 1/2024)

Chemphyschem, 2024-01, Vol.25 (1), p.n/a

2024

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Cover Feature: Rotational Transitions in the N 2 + Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study (ChemPhysChem 1/2024)

Chemphyschem, 2024-01, Vol.25 (1)

2024

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Nanostructure Selectivity for Molecular Adsorption and Separation: the Case of Graphyne Layers

Journal of physical chemistry. C, 2018-07, Vol.122 (28), p.16195-16208

2018

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Electronic Structure of Pentagonal Carbon Nanocones: An ab Initio Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-11, Vol.127 (46), p.9723-9732

2023

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The nearby magnetic cool DZ white dwarf PM J08186−3110

Monthly notices of the Royal Astronomical Society, 2021-01, Vol.500 (2), p.2732-2740

2021

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Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-11, Vol.125 (45), p.9819-9825

2021

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Signatures of Wigner localization in one-dimensional systems

The Journal of chemical physics, 2018-03, Vol.148 (12), p.124103-124103

2018

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Beryllium Dimer: A Bond Based on Non-Dynamical Correlation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (33), p.6664-6673

2014

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Mass-Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of H2O, Na, and K

Game of basis sets pinpointing charge transfer states: example for LiH

Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory

Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures

The spin-partitioned total position-spread tensor: An application to Heisenberg spin chains

The total position-spread tensor: spin partition

Ab initio study of methyl-bromide photodissociation in the A ̃ band

The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study

A Wigner molecule at extremely low densities: a numerically exact study

Ab initio study of valence and Rydberg states of CH3Br

Accurate Ab Initio Calculations for LiH and its Ions, LiH+ and LiH

The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF, and InCl

Publisher's Note: "The total position-spread tensor: Spin partition" [J. Chem. Phys. 142, 094113 (2015)]

New study of the line profiles of sodium perturbed by H 2

Product vibrational distributions in CH3Br photodissociation

The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation

Rotational Transitions in the N 2 + Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study

Cover Feature: Rotational Transitions in the N2+ Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study (ChemPhysChem 1/2024)

Cover Feature: Rotational Transitions in the N 2 + Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study (ChemPhysChem 1/2024)

Nanostructure Selectivity for Molecular Adsorption and Separation: the Case of Graphyne Layers

Electronic Structure of Pentagonal Carbon Nanocones: An ab Initio Study

The nearby magnetic cool DZ white dwarf PM J08186−3110

Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones

Signatures of Wigner localization in one-dimensional systems

Beryllium Dimer: A Bond Based on Non-Dynamical Correlation

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