Wilfried Langenaeker
Hasselt University(BE)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Computational Drug Discovery Methods, Inorganic and Organometallic Chemistry, Zeolite Catalysis and Synthesis
Most-Cited Works
- → Conceptual Density Functional Theory(2003)5,027 cited
- → Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density(2002)274 cited
- → Computational Medicinal Chemistry for Drug Discovery(2003)230 cited
- → Ab initio determination of substituent constants in a density functional theory formalism: calculation of intrinsic group electronegativity, hardness, and softness(1993)191 cited
- → Development of Local Hardness-Related Reactivity Indices: Their Application in a Study of the SE at Monosubstituted Benzenes within the HSAB Context(1995)155 cited
- → The Electronegativity Equalization Method I: Parametrization and Validation for Atomic Charge Calculations(2002)136 cited
- → Negative Fukui functions: New insights based on electronegativity equalization(2003)132 cited
- → Density Functional Theory : A Source of Chemical Concepts and a Cost-Effective Methodology for Their Calculation(1998)129 cited
- → The Electronegativity Equalization Method II: Applicability of Different Atomic Charge Schemes(2002)126 cited
- → Quantum-chemical study of the Fukui function as a reactivity index(1991)122 cited