| Effect of structural character of gold nanoparticles in nanofluid on heat pipe thermal performance CY Tsai, HT Chien, PP Ding, B Chan, TY Luh, PH Chen Materials Letters 58 (9), 1461-1465, 2004 | 524 | 2004 |
| Rapid additive-free selenocystine–selenoester peptide ligation NJ Mitchell, LR Malins, X Liu, RE Thompson, B Chan, L Radom, ... Journal of the American Chemical Society 137 (44), 14011-14014, 2015 | 147 | 2015 |
| Controlling charge separation in a novel donor–acceptor metal–organic framework via redox modulation CF Leong, B Chan, TB Faust, DM D'Alessandro Chemical Science 5 (12), 4724-4728, 2014 | 137 | 2014 |
| G4 (MP2)-6X: A cost-effective improvement to G4 (MP2) B Chan, J Deng, L Radom Journal of Chemical Theory and Computation 7 (1), 112-120, 2011 | 130 | 2011 |
| Chemoselective peptide ligation–desulfurization at aspartate RE Thompson, B Chan, L Radom, KA Jolliffe, RJ Payne Angewandte Chemie 125 (37), 9905-9909, 2013 | 127 | 2013 |
| Through-space intervalence charge transfer as a mechanism for charge delocalization in metal–organic frameworks C Hua, PW Doheny, B Ding, B Chan, M Yu, CJ Kepert, DM D’Alessandro Journal of the American Chemical Society 140 (21), 6622-6630, 2018 | 98 | 2018 |
| W2X and W3X-L: Cost-Effective Approximations to W2 and W4 with kJ mol–1 Accuracy B Chan, L Radom Journal of chemical theory and computation 11 (5), 2109-2119, 2015 | 93 | 2015 |
| Reactivity of disulfide bonds is markedly affected by structure and environment: implications for protein modification and stability M Karimi, MT Ignasiak, B Chan, AK Croft, L Radom, CH Schiesser, ... Scientific reports 6 (1), 1-12, 2016 | 86 | 2016 |
| W1X-1 and W1X-2: W1-quality accuracy with an order of magnitude reduction in computational cost B Chan, L Radom Journal of Chemical Theory and Computation 8 (11), 4259-4269, 2012 | 71 | 2012 |
| Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials SJ Kolmann, B Chan, MJT Jordan Chemical Physics Letters 467 (1-3), 126-130, 2008 | 70 | 2008 |
| Zeolite-catalyzed hydrogenation of carbon dioxide and ethene B Chan, L Radom Journal of the American Chemical Society 130 (30), 9790-9799, 2008 | 68 | 2008 |
| Design of Effective Zeolite Catalysts for the Complete Hydrogenation of CO2 B Chan, L Radom Journal of the American Chemical Society 128 (16), 5322-5323, 2006 | 65 | 2006 |
| Determination of Barrier Heights for Proton Exchange in Small Water, Ammonia, and Hydrogen Fluoride Clusters with G4 (MP2)-Type, MP n, and SCS-MP n Procedures A Caveat A Karton, RJ O’Reilly, B Chan, L Radom Journal of Chemical Theory and Computation 8 (9), 3128-3136, 2012 | 64 | 2012 |
| BDE261: a comprehensive set of high-level theoretical bond dissociation enthalpies B Chan, L Radom The Journal of Physical Chemistry A 116 (20), 4975-4986, 2012 | 62 | 2012 |
| Assessment of DFT methods for transition metals with the TMC151 compilation of data sets and comparison with accuracies for main-group chemistry B Chan, PMW Gill, M Kimura Journal of chemical theory and computation 15 (6), 3610-3622, 2019 | 61 | 2019 |
| Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal KA Zenere, SG Duyker, E Trzop, E Collet, B Chan, PW Doheny, CJ Kepert, ... Chemical science 9 (25), 5623-5629, 2018 | 60 | 2018 |
| Obtaining good performance with triple-ζ-type basis sets in double-hybrid density functional theory procedures B Chan, L Radom Journal of Chemical Theory and Computation 7 (9), 2852-2863, 2011 | 58 | 2011 |
| Evaluation of the Heats of Formation of Corannulene and C60 by Means of High-Level Theoretical Procedures A Karton, B Chan, K Raghavachari, L Radom The Journal of Physical Chemistry A 117 (8), 1834-1842, 2013 | 56 | 2013 |
| W3X: A cost-effective post-CCSD (T) composite procedure B Chan, L Radom Journal of Chemical Theory and Computation 9 (11), 4769-4778, 2013 | 55 | 2013 |
| Accelerated protein synthesis via one-pot ligation-deselenization chemistry NJ Mitchell, J Sayers, SS Kulkarni, D Clayton, AM Goldys, ... Chem 2 (5), 703-715, 2017 | 51 | 2017 |
Kimihiko HiraoKyoto UniversityVerified email at kyoto-u.ac.jp
