Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects.

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IR-IR Conformation Specific Spectroscopy of Na+(Glucose) Adducts.Spectroscopic snapshots of the proton-transfer mechanism in water.Structures of protonated hydrogen sulfide clusters, H+(H2S)n, highlighting the nature of sulfur-centered intermolecular interactions.

P2860

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P2860

Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects.

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年學術文章

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Gas phase vibrational spectros ...... s and nuclear quantum effects.

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Gas phase vibrational spectros ...... s and nuclear quantum effects.

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Gas phase vibrational spectros ...... s and nuclear quantum effects.

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Gas phase vibrational spectros ...... s and nuclear quantum effects.

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Gas phase vibrational spectros ...... s and nuclear quantum effects.

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Gas phase vibrational spectros ...... s and nuclear quantum effects.

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P1476

Gas phase vibrational spectros ...... s and nuclear quantum effects.

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P2093

Conrad T Wolke

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Harald Knorke

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Marie-Pierre Gaigeot

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Mark A Johnson

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Matias R Fagiani

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Nadja Heine

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Sandy Gewinner

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P2860

Density-functional thermochemistry. III. The role of exact exchange

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Spectral signatures of hydrated proton vibrations in water clusters.

Cryogenic ion chemistry and spectroscopy.

Theoretical spectroscopy using molecular dynamics: theory and application to CH5(+) and its isotopologues.

Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H(+)(H2O)(n=2-28) Clusters.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

Isomer-selective detection of hydrogen-bond vibrations in the protonated water hexamer.

A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies.

Both Zundel and Eigen isomers contribute to the IR spectrum of the gas-phase H9O4+ cluster.

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26743-26754

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scholarly article

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10.1039/C6CP05217G

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English

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2016-09-01T00:00:00Z

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27722600

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Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects.

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P2860

P2860

Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects.

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P698