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Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements.

The journal of physical chemistry. B

Hartley MK, Vine S, Walsh E, Avrantinis S, Daub GW, Cave RJ.
PMID: 26308793
J Phys Chem B. 2016 Mar 03;120(8):1486-96. doi: 10.1021/acs.jpcb.5b06646. Epub 2015 Sep 01.

We investigate several representative density functional theory approaches for the calculation of relative activation energies and free energies of a set of model pericyclic reactions, some of which have been studied experimentally. In particular, we use a standard hybrid...

Cite
Hartley MK, Vine S, Walsh E, et al. Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements. J Phys Chem B. 2015;120(8):1486-96doi: 10.1021/acs.jpcb.5b06646.
Hartley, M. K., Vine, S., Walsh, E., Avrantinis, S., Daub, G. W., & Cave, R. J. (2016). Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements. The journal of physical chemistry. B, 120(8), 1486-96. https://doi.org/10.1021/acs.jpcb.5b06646
Hartley, Madeline K, et al. "Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements." The journal of physical chemistry. B vol. 120,8 (2016): 1486-96. doi: https://doi.org/10.1021/acs.jpcb.5b06646
Hartley MK, Vine S, Walsh E, Avrantinis S, Daub GW, Cave RJ. Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements. J Phys Chem B. 2016 Mar 03;120(8):1486-96. doi: 10.1021/acs.jpcb.5b06646. Epub 2015 Sep 01. PMID: 26308793.
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Effects of handling and short-term captivity: a multi-behaviour approach using red sea urchins, .

PeerJ

Bose APH, Zayonc D, Avrantinis N, Ficzycz N, Fischer-Rush J, Francis FT, Gray S, Manning F, Robb H, Schmidt C, Spice C, Umedaly A, Warden J, Côté IM.
PMID: 30918753
PeerJ. 2019 Mar 20;7:e6556. doi: 10.7717/peerj.6556. eCollection 2019.

Understanding the effects of captivity-induced stress on wild-caught animals after their release back into the wild is critical for the long-term success of relocation and reintroduction programs. To date, most of the research on captivity stress has focused on...

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Bose APH, Zayonc D, Avrantinis N, et al. Effects of handling and short-term captivity: a multi-behaviour approach using red sea urchins, . PeerJ. 2019;7:e6556doi: 10.7717/peerj.6556.
Bose, A. P. H., Zayonc, D., Avrantinis, N., Ficzycz, N., Fischer-Rush, J., Francis, F. T., Gray, S., Manning, F., Robb, H., Schmidt, C., Spice, C., Umedaly, A., Warden, J., & Côté, I. M. (2019). Effects of handling and short-term captivity: a multi-behaviour approach using red sea urchins, . PeerJ, 7e6556. https://doi.org/10.7717/peerj.6556
Bose, Aneesh P H, et al. "Effects of handling and short-term captivity: a multi-behaviour approach using red sea urchins, ." PeerJ vol. 7 (2019): e6556. doi: https://doi.org/10.7717/peerj.6556
Bose APH, Zayonc D, Avrantinis N, Ficzycz N, Fischer-Rush J, Francis FT, Gray S, Manning F, Robb H, Schmidt C, Spice C, Umedaly A, Warden J, Côté IM. Effects of handling and short-term captivity: a multi-behaviour approach using red sea urchins, . PeerJ. 2019 Mar 20;7:e6556. doi: 10.7717/peerj.6556. eCollection 2019. PMID: 30918753; PMCID: PMC6431136.
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Showing 1 to 2 of 2 entries