Joseph Lane

Dr. Joseph Lane


Research Focus & Metrics

Academic Career Length

21Years (2006-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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23 July 2013 in Journal of Chemical Theory and Computation
Verified
Journal Article
Closed access
JLJoseph Lane
Joseph Lane
JCJulia Contreras-Garcia
Julia Contreras-Garcia
JPJean-Philip Piquemal
Jean-Philip Piquemal
BMBenjamin J. Miller
Benjamin J. Miller
HKHenrik G. Kjaergaard
Henrik G. Kjaergaard

29 November 2012 in Journal of Chemical Theory and Computation
Verified
Journal Article
Closed access
JLJoseph Lane
Joseph Lane

18 January 2011 in The Journal of Chemical Physics
Verified
Journal Article
Closed access
KLKatrina M. de Lange
Katrina M. de Lange
JLJoseph Lane
Joseph Lane
We have optimized the lowest energy structures and calculated interaction energies for the CO2–Ar, CO2–N2, CO2–CO, CO2–H2O, and CO2–NH3 dimers with the recently developed explicitly correlated coupled cluster singles doubles and perturbative triples [CCSD(T)]-F12 methods and the associated VXZ-F12 (where X = D,T,Q) basis sets. For a given cardinal number, we find that results obtained with the CCSD(T)-F12 methods are much closer to the CCSD(T) complete basis set limit than the conventional CCSD(T) results. The relatively modest increase in the computational cost between explicit and conventional CCSD(T) is more than compensated for by the impressive accuracy of the CCSD(T)-F12 method. We recommend use of the CCSD(T)-F12 methods in combination with the VXZ-F12 basis sets for the accurate determination of equilibrium geometries and interaction energies of weakly bound electron donor acceptor complexes.

5 December 2023 in Environmental Science & Technology
Verified
Journal Article
Closed access
JCJing Chen
Jing Chen
JLJoseph Lane
Joseph Lane
KBKelvin H. Bates
Kelvin H. Bates
HKHenrik G. Kjaergaard
Henrik G. Kjaergaard

3 August 2016 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
JLJoseph Lane
Joseph Lane
SSSidsel D. Schrøder
Sidsel D. Schrøder
GSGraham C. Saunders
Graham C. Saunders
HKHenrik G. Kjaergaard
Henrik G. Kjaergaard

4 October 2021 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
JCJing Chen
Jing Chen
TBTorsten Berndt
Torsten Berndt
KMKristian H. Møller
Kristian H. Møller
JLJoseph Lane
Joseph Lane
HKHenrik G. Kjaergaard
Henrik G. Kjaergaard