Paul Sherwood
Publications by Year
Research Areas
Organometallic Complex Synthesis and Catalysis, Advanced Chemical Physics Studies, Catalytic Processes in Materials Science, Asymmetric Hydrogenation and Catalysis, Carbon dioxide utilization in catalysis
Most-Cited Works
- → Band alignment of rutile and anatase TiO2(2013)2,258 cited
- → QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis(2003)1,038 cited
- → DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations(2009)637 cited
- → Understanding the Behavior of Halogens as Hydrogen Bond Acceptors(2001)635 cited
- → The GAMESS-UK electronic structure package: algorithms, developments and applications(2005)520 cited
- → ChemShell—a modular software package for QM/MM simulations(2013)502 cited
- → Superlinearly converging dimer method for transition state search(2008)430 cited
- → Zeolite Structure and Reactivity by Combined Quantum-Chemical−Classical Calculations(1999)389 cited
- → Supramolecular Chemistry of Halogens: Complementary Features of Inorganic (M−X) and Organic (C−X‘) Halogens Applied to M−X···X‘−C Halogen Bond Formation(2005)376 cited
- → Computer simulation of zeolite structure and reactivity using embedded cluster methods(1997)210 cited