Tian Lu
- Multiwfn: A multifunctional wavefunction analyzer
2011/12/08 by Tian Lu, Feiwu Chen · 63 citations
- Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
2022/02/02 by Tian Lu, Qinxue Chen · 27 citations
Chemistry · Physics and Astronomy · #Crystallography and molecular interactions #Molecular spectroscopy and chirality #Spectroscopy and Quantum Chemical Studies
- Efficient evaluation of electrostatic potential with computerized optimized code
2021/01/01 by Jun Zhang, Tian Lu · 21 citations
Chemistry · Materials Science · #Crystallography and molecular interactions #Electrochemical Analysis and Applications #Machine Learning in Materials Science
- An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Electronic structure, electronic spectrum, and optical nonlinearity
2020/05/10 by Zeyu Liu, Tian Lu, Qinxue Chen · 21 citations
Chemistry · Materials Science · #Boron and Carbon Nanomaterials Research #Fullerene Chemistry and Applications #Synthesis and Properties of Aromatic Compounds
- A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024/08/27 by Tian Lu · 45 citations
Chemistry · Physics and Astronomy · #Photochemistry and Electron Transfer Studies #Advanced Chemical Physics Studies #Free Radicals and Antioxidants
- Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms‐in‐Molecules Descriptors, Binding Energies, and Energy Components of Symmetry‐Adapted Perturbation Theory
2019/09/13 by Saeedreza Emamian, Tian Lu, Holger Kruse +1 · 9 citations
Chemistry · Physics and Astronomy · Materials Science · #Crystallography and molecular interactions #Advanced Chemical Physics Studies #Nonlinear Optical Materials Research
- Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions**
2021/05/01 by Tian Lu, Qinxue Chen · 9 citations
Chemistry · Computer Science · #Computational Drug Discovery Methods #Crystallography and molecular interactions #Molecular spectroscopy and chirality
- Shermo: A general code for calculating molecular thermochemistry properties
2021/04/01 by Tian Lu, Qinxue Chen · 6 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Thermodynamics and Molecular Structure #Spectroscopy and Quantum Chemical Studies
- High-Resolution capillary electrophoresis separation of large RNA under non-aqueous conditions
2020/01/10 by Tian Lu, Tian Lü, Lee J. Klein +2 · 16 citations
Engineering · Biochemistry, Genetics and Molecular Biology · #Microfluidic and Capillary Electrophoresis Applications #Nanopore and Nanochannel Transport Studies #RNA Interference and Gene Delivery
- Intermolecular interaction characteristics of the all-carboatomic ring, cyclo[18]carbon: Focusing on molecular adsorption and stacking
2020/09/19 by Zeyu Liu, Tian Lu, Qinxue Chen · 7 citations
Chemistry · Materials Science · #Boron and Carbon Nanomaterials Research #Fullerene Chemistry and Applications #Synthesis and Properties of Aromatic Compounds
- An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Bonding character, electron delocalization, and aromaticity
2020/05/07 by Zeyu Liu, Tian Lu, Qinxue Chen · 5 citations
Chemistry · #Fullerene Chemistry and Applications #Organoboron and organosilicon chemistry #Synthesis and Properties of Aromatic Compounds
- A simple method of identifying π orbitals for non-planar systems and a protocol of studying π electronic structure
2020/01/14 by Tian Lu, Qinxue Chen · 4 citations
Chemistry · Materials Science · #Crystallography and molecular interactions #Organic and Molecular Conductors Research #Synthesis and Properties of Aromatic Compounds
- van der Waals potential: an important complement to molecular electrostatic potential in studying intermolecular interactions
2020/10/24 by Tian Lu, Qinxue Chen · 1 citation