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Accurate analytic potentials for Li(2)(X (1)Sigma(g) (+)) and Li(2)(A (1)Sigma(u) (+)) from 2 to 90 A, and the radiative lifetime of Li(2p).
J Chem Phys. 2009 Nov 28;131(20):204309. doi: 10.1063/1.3264688.
J Chem Phys. 2009.
PMID: 19947682
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations.
Li Z, Li J, Dattani NS, Umrigar CJ, Chan GK.
Li Z, et al. Among authors: dattani ns.
J Chem Phys. 2019 Jan 14;150(2):024302. doi: 10.1063/1.5063376.
J Chem Phys. 2019.
PMID: 30646701
Free article.
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Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI.
Powell AD, Dattani NS, Spada RFK, Machado FBC, Lischka H, Dawes R.
Powell AD, et al. Among authors: dattani ns.
J Chem Phys. 2017 Sep 7;147(9):094306. doi: 10.1063/1.4990673.
J Chem Phys. 2017.
PMID: 28886655
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Why Quantum Coherence Is Not Important in the Fenna-Matthews-Olsen Complex.
Wilkins DM, Dattani NS.
Wilkins DM, et al. Among authors: dattani ns.
J Chem Theory Comput. 2015 Jul 14;11(7):3411-9. doi: 10.1021/ct501066k.
J Chem Theory Comput. 2015.
PMID: 26575775
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Mapping the space of genomic signatures.
Kari L, Hill KA, Sayem AS, Karamichalis R, Bryans N, Davis K, Dattani NS.
Kari L, et al. Among authors: dattani ns.
PLoS One. 2015 May 22;10(5):e0119815. doi: 10.1371/journal.pone.0119815. eCollection 2015.
PLoS One. 2015.
PMID: 26000734
Free PMC article.
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