| Are bond critical points really critical for hydrogen bonding? JR Lane, J Contreras-García, JP Piquemal, BJ Miller, HG Kjaergaard Journal of Chemical Theory and Computation 9 (8), 3263-3266, 2013 | 462 | 2013 |
| A combined experimental and quantum chemical study of CO 2 adsorption in the metal–organic framework CPO-27 with different metals D Yu, AO Yazaydin, JR Lane, PDC Dietzel, RQ Snurr Chemical Science 4 (9), 3544-3556, 2013 | 201 | 2013 |
| CCSDTQ Optimized Geometry of Water Dimer JR Lane Journal of Chemical Theory and Computation 9 (1), 316-323, 2012 | 129 | 2012 |
| A Computational Study of the Oxidation of SO2 to SO3 by Gas-Phase Organic Oxidants T Kurten, JR Lane, S Jørgensen, HG Kjaergaard The Journal of Physical Chemistry A 115 (31), 8669-8681, 2011 | 111 | 2011 |
| Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes JR Lane, HG Kjaergaard The Journal of chemical physics 131 (3), 034307, 2009 | 106 | 2009 |
| Hydrogen bonded OH-stretching vibration in the water dimer DP Schofield, JR Lane, HG Kjaergaard The Journal of Physical Chemistry A 111 (4), 567-572, 2007 | 97 | 2007 |
| Explicit correlation and intermolecular interactions: Investigating carbon dioxide complexes with the CCSD (T)-F12 method KM de Lange, JR Lane The Journal of chemical physics 134 (3), 034301, 2011 | 74 | 2011 |
| Identification of the dimethylamine-trimethylamine complex in the gas phase L Du, JR Lane, HG Kjaergaard The Journal of Chemical Physics 136 (18), 2012 | 60 | 2012 |
| Kinetics of conversion of dihydroxyacetone to methylglyoxal in New Zealand mānuka honey: Part I–Honey systems MNC Grainger, M Manley-Harris, JR Lane, RJ Field Food Chemistry 202, 484-491, 2016 | 55 | 2016 |
| Kinetics of the conversion of dihydroxyacetone to methylglyoxal in New Zealand mānuka honey: Part II–Model systems MNC Grainger, M Manley-Harris, JR Lane, RJ Field Food Chemistry 202, 492-499, 2016 | 55 | 2016 |
| Explicit correlation and basis set superposition error: The structure and energy of carbon dioxide dimer JD McMahon, JR Lane The Journal of chemical physics 135 (15), 154309, 2011 | 55 | 2011 |
| Intramolecular OHπ interactions in alkenols and alkynols BJ Miller, JR Lane, HG Kjaergaard Physical Chemistry Chemical Physics 13 (31), 14183-14193, 2011 | 54 | 2011 |
| Intramolecular Interactions in 2-aminoethanol and 3-aminopropanol DL Thomsen, JL Axson, SD Schrøder, JR Lane, V Vaida, HG Kjaergaard The Journal of Physical Chemistry A 117 (40), 10260-10273, 2013 | 51 | 2013 |
| Intramolecular Hydrogen Bonding in Substituted Aminoalcohols JR Lane, SD Schrøder, GC Saunders, HG Kjaergaard The Journal of Physical Chemistry A 120 (32), 6371-6378, 2016 | 47 | 2016 |
| Kinetics of conversion of dihydroxyacetone to methylglyoxal in New Zealand mānuka honey: Part I–Honey systems MNC Grainger, M Manley-Harris, JR Lane, RJ Field Food chemistry 202, 484-491, 2016 | 46 | 2016 |
| Absolute intensities of NH-stretching transitions in dimethylamine and pyrrole BJ Miller, L Du, TJ Steel, AJ Paul, AH Södergren, JR Lane, BR Henry, ... The Journal of Physical Chemistry A 116 (1), 290-296, 2011 | 45 | 2011 |
| XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods JR Lane, HG Kjaergaard The Journal of chemical physics 132 (17), 174304, 2010 | 43 | 2010 |
| Calculated electronic transitions in sulfuric acid and implications for its photodissociation in the atmosphere JR Lane, HG Kjaergaard The Journal of Physical Chemistry A 112 (22), 4958-4964, 2008 | 39 | 2008 |
| Overtone spectroscopy of sulfonic acid derivatives JR Lane, HG Kjaergaard, KL Plath, V Vaida The Journal of Physical Chemistry A 111 (25), 5434-5440, 2007 | 39 | 2007 |
| The lowest A′ 2 excited state of the water-hydroxyl complex TD Crawford, ML Abrams, RA King, JR Lane, DP Schofield, ... The Journal of chemical physics 125 (20), 204302, 2006 | 39 | 2006 |
Benjamin J. MillerChemistry Department, University of Otago在 otago.ac.nz 的电子邮件经过验证
