Raza Ullah Khan

4PUBLICATIONS
2CO-AUTHORS
Metal cluster chemistryTheoretical quantum chemistryBiomolecular modelling and designPolymers and plastics
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Publications (4)

|Sep 11, 2025
Geometrical Isotope Effects on Chemical Bonding in Hydrogen Bonded Systems: Combining Nuclear-Electronic Orbital DFT and Energy Decomposition Analysis.

Raza Ullah Khan, Ralf Tonner-Zech

|Mar 18, 2025
Optimizing Computational Parameters for Nuclear Electronic Orbital Density Functional Theory: A Benchmark Study on Proton Affinities.

Raza Ullah Khan, Ralf Tonner-Zech

|Aug 21, 2020
Computer-aided design and property prediction of novel insensitive high-energy heterocycle-substituted derivatives of cage NNNAHP.

Raza Ullah Khan, Weihua Zhu

|Mar 18, 2020
Computational insight into polynitromethyl- and polydifluoroaminomethyl-substituted energetic derivatives of 2,3-dihydro pyrazino [2,3-e] [1, 2, 3, 4] tetrazine.

Raza Ullah Khan, Weihua Zhu

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Frequent Collaborators

2 joint publications

Raza Ullah Khan

2 joint publications

Weihua Zhu