| On the convergence of the Møller-Plesset perturbation series NC Handy, PJ Knowles, K Somasundram Theoretica chimica acta 68, 87-100, 1985 | 362 | 1985 |
| Important issues in a molecular dynamics simulation for characterising the mechanical properties of carbon nanotubes K Mylvaganam, LC Zhang Carbon 42 (10), 2025-2032, 2004 | 263 | 2004 |
| The calculation of higher-order energies in the many-body perturbation theory series PJ Knowles, K Somasundram, NC Handy, K Hirao Chemical physics letters 113 (1), 8-12, 1985 | 194 | 1985 |
| Fabrication and application of polymer composites comprising carbon nanotubes K Mylvaganam, LC Zhang Recent patents on nanotechnology 1 (1), 59-65, 2007 | 135 | 2007 |
| Evolution of metastable phases in silicon during nanoindentation: mechanism analysis and experimental verification K Mylvaganam, LC Zhang, P Eyben, J Mody, W Vandervorst Nanotechnology 20 (30), 305705, 2009 | 133 | 2009 |
| Ballistic resistance capacity of carbon nanotubes K Mylvaganam, LC Zhang Nanotechnology 18 (47), 475701, 2007 | 126 | 2007 |
| Nanotube functionalization and polymer grafting: an ab initio study K Mylvaganam, LC Zhang The Journal of Physical Chemistry B 108 (39), 15009-15012, 2004 | 104 | 2004 |
| Wrinkling of monolayer graphene: A study by molecular dynamics and continuum plate theory CY Wang, K Mylvaganam, LC Zhang Physical Review B 80 (15), 155445, 2009 | 103 | 2009 |
| Chemical bonding in polyethylene− nanotube composites: a quantum mechanics prediction K Mylvaganam, LC Zhang The Journal of Physical Chemistry B 108 (17), 5217-5220, 2004 | 99 | 2004 |
| Homogeneous conversion of methane to methanol. 2. Catalytic activation of methane by cis-and trans-platin: A density functional study of the Shilov type reaction K Mylvaganam, GB Bacskay, NS Hush Journal of the American Chemical Society 122 (9), 2041-2052, 2000 | 89 | 2000 |
| Nanotwinning in monocrystalline silicon upon nanoscratching K Mylvaganam, LC Zhang Scripta Materialia 65 (3), 214-216, 2011 | 87 | 2011 |
| Ab initio calculation for properties of hydrogen bonded complexes H3N⋯HCN, HCN⋯HCN, HCN⋯HF, H2O⋯HF K Somasundram, RD Amos, NC Handy Theoretica chimica acta 69, 491-503, 1986 | 72 | 1986 |
| Vibrational frequencies for NO chemisorbed on different sites: DFT calculations on Pd clusters MP Jigato, K Somasundram, V Termath, NC Handy, DA King Surface science 380 (1), 83-90, 1997 | 70 | 1997 |
| Hydrogen-bonded complexes involving HF and HCl: the effects of electron correlation and anharmonicity RD Amos, JF Gaw, NC Handy, ED Simandiras, K Somasundram Theoretica chimica acta 71, 41-57, 1987 | 65 | 1987 |
| Homogeneous conversion of methane to methanol. 1. Catalytic activation and functionalization of methane by cis-platin in sulfuric acid: A density functional study of the … K Mylvaganam, GB Bacskay, NS Hush Journal of the American Chemical Society 121 (19), 4633-4639, 1999 | 60 | 1999 |
| Molecular simulations of the large conductance mechanosensitive (MscL) channel under mechanical loading LE Bilston, K Mylvaganam Febs Letters 512 (1-3), 185-190, 2002 | 53 | 2002 |
| Analysis and modeling of the high vacuum scanning spreading resistance microscopy nanocontact on silicon P Eyben, F Clemente, K Vanstreels, G Pourtois, T Clarysse, E Duriau, ... Journal of Vacuum Science & Technology B 28 (2), 401-406, 2010 | 49 | 2010 |
| Energy absorption capacity of carbon nanotubes under ballistic impact K Mylvaganam, LC Zhang Applied Physics Letters 89 (12), 2006 | 48 | 2006 |
| Understanding the friction and wear of KDP crystals by nanoscratching Y Zhang, L Zhang, M Liu, F Zhang, K Mylvaganam, W Liu Wear 332, 900-906, 2015 | 43 | 2015 |
| Deformation-promoted reactivity of single-walled carbon nanotubes K Mylvaganam, LC Zhang Nanotechnology 17 (2), 410, 2005 | 42 | 2005 |
Peter KnowlesProfessor of Theoretical Chemistry, Cardiff UniversityVerified email at Cardiff.ac.uk
