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Iakov Polyak

Cardiff University

5

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189

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The Molpro quantum chemistry package.

2020 Journal of Chemical Physics
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Ultrafast Photoinduced Dynamics of 1,3-CyclohexadieneUsing XMS-CASPT2 Surface Hopping

2019 Journal of Chemical Theory and Computation
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Novel long-chain neurotoxins from Bungarus candidus distinguish the two binding sites in muscle-type nicotinic acetylcholine receptors

2019 Biochemical Journal
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Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression

2019 Journal of Chemical Physics
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