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Steric effect: A quantitative description from density functional theory

The Journal of chemical physics, 2007-06, Vol.126 (24), p.244103-244103-5

Liu, Shubin

2007

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On the relationship between densities of Shannon entropy and Fisher information for atoms and molecules

The Journal of chemical physics, 2007-05, Vol.126 (19), p.191107-191107-3

Liu, Shubin

2007

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Harvesting Chemical Understanding with Machine Learning and Quantum Computers

ACS Physical Chemistry Au, 2024-03, Vol.4 (2), p.135-142

Liu, Shubin

2024

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A 12-Bit 10 MS/s SAR ADC With High Linearity and Energy-Efficient Switching

IEEE transactions on circuits and systems. I, Regular papers, 2016-10, Vol.63 (10), p.1616-1627

2016

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Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells

Journal of the American Chemical Society, 2013-02, Vol.135 (5), p.1806-1815

2013

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Development of Fluorinated Benzothiadiazole as a Structural Unit for a Polymer Solar Cell of 7 % Efficiency

Angewandte Chemie (International ed.), 2011-03, Vol.50 (13), p.2995-2998

International ed. in English, 2011

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Quantification and origin of cooperativity: insights from density functional reactivity theory

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (26), p.1799-17998

2018

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An Alternative Approach to Extend Levy Constrained Search in Fock Space to No Integer Electron Number in Density Functional Theory

物理化学学报, 2018-03, Vol.34 (6), p.561-562

LIU Shubin

2018

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Constant Temperature from Phase Space View of Ensembles of Excited States

Wuli huaxue xuebao, 2018, Vol.34 (5), p.455-455

LIU, Shubin

2018

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Deep Learning Enables Optofluidic Zoom System with Large Zoom Ratio and High Imaging Resolution

Sensors (Basel, Switzerland), 2023-03, Vol.23 (6), p.3204

2023

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Importance of Nucleophilicity of Chain-Transfer Agents for Controlled Cationic Degenerative Chain-Transfer Polymerization

Macromolecules, 2020-06, Vol.53 (11), p.4303-4311

2020

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Silencing of CD147 inhibits cell proliferation, migration, invasion, lipid metabolism dysregulation and promotes apoptosis in lung adenocarcinoma via blocking the Rap1 signaling pathway

Respiratory research, 2023-10, Vol.24 (1), p.253-253, Article 253

2023

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Correction: Silencing of CD147 inhibits cell proliferation, migration, invasion, lipid metabolism dysregulation and promotes apoptosis in lung adenocarcinoma via blocking the Rap1 signaling pathway

Respiratory research, 2024-03, Vol.25 (1), p.136-136

2024

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Mechanistic study of Ni–Cr–P alloy electrodeposition and characterization of deposits

Journal of electroanalytical chemistry (Lausanne, Switzerland), 2021-09, Vol.897, p.115582, Article 115582

2021

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Donor−Acceptor Polymers Incorporating Alkylated Dithienylbenzothiadiazole for Bulk Heterojunction Solar Cells: Pronounced Effect of Positioning Alkyl Chains

Macromolecules, 2010-01, Vol.43 (2), p.811-820

2010

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Homochirality Originates from the Handedness of Helices

The journal of physical chemistry letters, 2020-10, Vol.11 (20), p.8690-8696

Liu, Shubin

2020

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Tuning Amidoximate to Enhance Uranyl Binding: A Density Functional Theory Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-11, Vol.117 (45), p.11558-11565

2013

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Identity for Kullback-Leibler divergence in density functional reactivity theory

The Journal of chemical physics, 2019-10, Vol.151 (14), p.141103-141103

Liu, Shubin

2019

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Exploring Chemical Concepts Through Theory and Computation

Liu, Shubin

1, 2024

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Principle of Chirality Hierarchy in Three-Blade Propeller Systems

The journal of physical chemistry letters, 2021-09, Vol.12 (36), p.8720-8725

Liu, Shubin

2021

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Quantifying Reactivity for Electrophilic Aromatic Substitution Reactions with Hirshfeld Charge

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (12), p.3107-3111

Liu, Shubin

2015

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A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and Peptides

Pharmaceuticals (Basel, Switzerland), 2022-07, Vol.15 (8), p.938

2022

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Excited-State Polarizabilities: A Combined Density Functional Theory and Information-Theoretic Approach Study

Molecules (Basel, Switzerland), 2023-03, Vol.28 (6), p.2576

2023

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Where does the electron go? The nature of ortho/para and meta group directing in electrophilic aromatic substitution

The Journal of chemical physics, 2014-11, Vol.141 (19), p.194109-194109

Liu, Shubin

2014

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Quantifying energetic information in density functional theory

The Journal of chemical physics, 2022-09, Vol.157 (10), p.101103-101103

Liu, Shubin

2022

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Steric effect: A quantitative description from density functional theory

On the relationship between densities of Shannon entropy and Fisher information for atoms and molecules

Harvesting Chemical Understanding with Machine Learning and Quantum Computers

A 12-Bit 10 MS/s SAR ADC With High Linearity and Energy-Efficient Switching

Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells

Development of Fluorinated Benzothiadiazole as a Structural Unit for a Polymer Solar Cell of 7 % Efficiency

Quantification and origin of cooperativity: insights from density functional reactivity theory

An Alternative Approach to Extend Levy Constrained Search in Fock Space to No Integer Electron Number in Density Functional Theory

Constant Temperature from Phase Space View of Ensembles of Excited States

Deep Learning Enables Optofluidic Zoom System with Large Zoom Ratio and High Imaging Resolution

Importance of Nucleophilicity of Chain-Transfer Agents for Controlled Cationic Degenerative Chain-Transfer Polymerization

Silencing of CD147 inhibits cell proliferation, migration, invasion, lipid metabolism dysregulation and promotes apoptosis in lung adenocarcinoma via blocking the Rap1 signaling pathway

Correction: Silencing of CD147 inhibits cell proliferation, migration, invasion, lipid metabolism dysregulation and promotes apoptosis in lung adenocarcinoma via blocking the Rap1 signaling pathway

Mechanistic study of Ni–Cr–P alloy electrodeposition and characterization of deposits

Donor−Acceptor Polymers Incorporating Alkylated Dithienylbenzothiadiazole for Bulk Heterojunction Solar Cells: Pronounced Effect of Positioning Alkyl Chains

Homochirality Originates from the Handedness of Helices

Tuning Amidoximate to Enhance Uranyl Binding: A Density Functional Theory Study

Identity for Kullback-Leibler divergence in density functional reactivity theory

Exploring Chemical Concepts Through Theory and Computation

Principle of Chirality Hierarchy in Three-Blade Propeller Systems

Quantifying Reactivity for Electrophilic Aromatic Substitution Reactions with Hirshfeld Charge

A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and Peptides

Excited-State Polarizabilities: A Combined Density Functional Theory and Information-Theoretic Approach Study

Where does the electron go? The nature of ortho/para and meta group directing in electrophilic aromatic substitution

Quantifying energetic information in density functional theory

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