Qing Lu

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 13

Top Topics

Molecular Dynamics Simulations

Density Functional Theory

Candida Albicans

Energy Transfer

Top Venues

The journal of physical chemistry. A

Science and technology of advanced materials

This page only lists publications with an associated author ORCID identifier.

Publications

Xingyu Yang, Haitao Ma, Qing Lu, Wensheng Bian
Efficient Method for Numerical Calculations of Molecular Vibrational Frequencies by Exploiting Sparseness of Hessian Matrix. The journal of physical chemistry. A 128 (15) (2024)
Xingyu Yang, Haitao Ma, Qing Lu, Wensheng Bian
Efficient Method for Numerical Calculations of Molecular Vibrational Frequencies by Exploiting Sparseness of Hessian Matrix. The journal of physical chemistry. A 128 (15) (2024)
Xingyu Yang, Haitao Ma, Qing Lu, Wensheng Bian
Efficient Method for Numerical Calculations of Molecular Vibrational Frequencies by Exploiting Sparseness of Hessian Matrix. The journal of physical chemistry. A 128 (15) (2024)
Atazaz Ahsin, Aamna Qamar, Qing Lu, Wensheng Bian
Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides. Science and technology of advanced materials 25 (1) (2024)
Atazaz Ahsin, Aamna Qamar, Qing Lu, Wensheng Bian
Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides. Science and technology of advanced materials 25 (1) (2024)
Xingyu Yang, Haitao Ma, Qing Lu, Wensheng Bian
Efficient Method for Numerical Calculations of Molecular Vibrational Frequencies by Exploiting Sparseness of Hessian Matrix. The journal of physical chemistry. A 128 (15) (2024)
Xingyu Yang, Haitao Ma, Qing Lu, Wensheng Bian
Efficient Method for Numerical Calculations of Molecular Vibrational Frequencies by Exploiting Sparseness of Hessian Matrix. The journal of physical chemistry. A (2024)
Qing Lu, Wensheng Bian
The Decay of Dispersion Interaction and Its Remarkable Effects on the Kinetics of Activation Reactions Involving Alkyl Chains. The journal of physical chemistry letters 14 (47) (2023)
Qing Lu
Neglected Importance of Anharmonicity in Quantifying the Renner-Teller Effect. ACS omega 7 (48) (2022)
Qing Lu
Neglected Importance of Anharmonicity in Quantifying the Renner-Teller Effect. ACS omega 7 (48) (2022)
Qing Lu
Identifying molecular structural features by pattern recognition methods. RSC advances 12 (27) (2022)
Qing Lu
Molecular structure recognition by blob detection. RSC advances 11 (57) (2021)
Qing Lu, Frank Neese, Giovanni Bistoni
Formation of Agostic Structures Driven by London Dispersion. Angewandte Chemie (International ed. in English) 57 (17) (2018)