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11 results in Authors: Qinxue Chen

Theoretical and Computational Chemistry

Working Paper

Erratum to “Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems”

Tian Lu, Qinxue Chen

Version 1 posted 26 October 2022

854

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Citations

Theoretical and Computational Chemistry

Working Paper

Ultrastrong Regulation Effect of Electric Field on Cyclo[18]carbon: Phenomenon and Essence

Tian Lu, Qinxue Chen

Version 2 posted 28 September 2020

1,185

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Theoretical and Computational Chemistry

Working Paper

Interaction Region Indicator (IRI): A Very Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions

Tian Lu, qinxue chen

Version 1 posted 18 January 2021

1,638

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Citations

Theoretical and Computational Chemistry

Working Paper

van der Waals Potential: An Important Complement to Molecular Electrostatic Potential in Studying Intermolecular Interactions

Tian Lu, Qinxue Chen

Version 2 posted 13 May 2020

1,766

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Physical Chemistry

Working Paper

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

Tian Lu, Qinxue Chen, Zeyu Liu

Version 2 posted 23 December 2019

7,714

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Theoretical and Computational Chemistry

Working Paper

mwfn: A Strict, Concise and Extensible Format for Electronic Wavefunction Storage and Exchange

Tian Lu, Qinxue Chen

Version 6 posted 18 July 2022

3,569

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Citations

Physical Chemistry

Working Paper

Accurate theoretical evaluation of strain energy of all-carboatomic ring (cyclo[2n]carbon), boron nitride ring, and cyclic polyacetylene

Tian Lu, Zeyu Liu, Qinxue Chen

Version 1 posted 10 June 2022

436

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Theoretical and Computational Chemistry

Working Paper

Independent gradient model based on Hirshfeld partition (IGMH): A new method for visual study of interactions in chemical systems

Tian Lu, Qinxue Chen

Version 2 posted 06 December 2021

3,704

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Citations

Theoretical and Computational Chemistry

Working Paper

A simple, efficient and universal energy decomposition analysis method based on dispersion-corrected density functional theory

Tian Lu, Qinxue Chen

Version 1 posted 27 June 2023

2,212

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Physical Chemistry

Working Paper

Shermo: A General Code for Calculating Molecular Thermochemistry Properties

Tian Lu, qinxue chen

Version 1 posted 18 May 2020

3,024

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11 results in Qinxue Chen in Authors: Qinxue Chen

Erratum to “Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems”

Ultrastrong Regulation Effect of Electric Field on Cyclo[18]carbon: Phenomenon and Essence

Interaction Region Indicator (IRI): A Very Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions

van der Waals Potential: An Important Complement to Molecular Electrostatic Potential in Studying Intermolecular Interactions

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

mwfn: A Strict, Concise and Extensible Format for Electronic Wavefunction Storage and Exchange

Accurate theoretical evaluation of strain energy of all-carboatomic ring (cyclo[2n]carbon), boron nitride ring, and cyclic polyacetylene

Independent gradient model based on Hirshfeld partition (IGMH): A new method for visual study of interactions in chemical systems

A simple, efficient and universal energy decomposition analysis method based on dispersion-corrected density functional theory

Shermo: A General Code for Calculating Molecular Thermochemistry Properties

11 results in Authors: Qinxue Chen