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Professor Jo Lane
Professor Jo Lane
Verified email at waikato.ac.nz
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Year
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
4562013
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
2002013
CCSDTQ Optimized Geometry of Water Dimer
JR Lane
Journal of Chemical Theory and Computation 9 (1), 316-323, 2012
1272012
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
1112011
Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes
JR Lane, HG Kjaergaard
The Journal of chemical physics 131 (3), 034307, 2009
1062009
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
972007
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
742011
Identification of the dimethylamine-trimethylamine complex in the gas phase
L Du, JR Lane, HG Kjaergaard
The Journal of Chemical Physics 136 (18), 2012
602012
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
552016
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
552016
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
542011
Intramolecular OHπ interactions in alkenols and alkynols
BJ Miller, JR Lane, HG Kjaergaard
Physical Chemistry Chemical Physics 13 (31), 14183-14193, 2011
532011
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
512013
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
472016
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
462016
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
452011
XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods
JR Lane, HG Kjaergaard
The Journal of chemical physics 132 (17), 174304, 2010
432010
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
392008
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
392007
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
392006
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Articles 1–20