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List of works by Xin Wu

An entrant of smaller fullerene: C56 captured by chlorines and aligned in linear chains.

scientific article published on 29 October 2008

Crystal Structures of Saturn‐Like C50Cl10and Pineapple‐Shaped C64Cl4: Geometric Implications of Double‐ and Triple‐Pentagon‐Fused Chlorofullerenes

scientific article published on 01 January 2008

Dimetalloendofullerene U(2)@C(60) has a U-U multiple bond consisting of sixfold one-electron-two-center bonds.

scientific article published on 26 January 2007

Hybrid Quantum and Classical Simulations of the Dihydrofolate Reductase Catalyzed Hydride Transfer Reaction on an Accurate Semi-Empirical Potential Energy Surface

Isolation and Characterization of Sc2C2@C68: A Metal-Carbide Endofullerene with a Non-IPR Carbon Cage

scientific article published on 01 March 2006

Semiempirical Quantum Chemical Calculations Accelerated on a Hybrid Multicore CPU-GPU Computing Platform

scientific article published on 7 June 2012

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties

scientific article published on 15 January 2016

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters.

scientific article

Specific Reaction Path Hamiltonian for Proton Transfer in Water: Reparameterized Semiempirical Models

scientific article published on 16 May 2013

Two I(h)-symmetry-breaking C60 isomers stabilized by chlorination

scientific article

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