Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification.

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Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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Accurate spectroscopic characterization of the HOC

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Accurate spectroscopic charact ...... s experimental identification.

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Accurate spectroscopic characterization of the HOC

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Accurate spectroscopic charact ...... s experimental identification.

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Accurate spectroscopic characterization of the HOC

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Accurate spectroscopic charact ...... s experimental identification.

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P1476

Accurate spectroscopic charact ...... ts experimental identification

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P2093

Roberto Linguerri

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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

Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine.

Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation.

Observation of the simplest Criegee intermediate CH2OO in the gas-phase ozonolysis of ethylene

Structure and spectroscopic properties of low-lying states of the HOC(O)O radical.

Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies.

Accurate Harmonic/Anharmonic Vibrational Frequencies for Open-Shell Systems: Performances of the B3LYP/N07D Model for Semirigid Free Radicals Benchmarked by CCSD(T) Computations.

General Time Dependent Approach to Vibronic Spectroscopy Including Franck-Condon, Herzberg-Teller, and Duschinsky Effects.

CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study.

P304

024302

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scholarly article

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10.1063/1.4990437

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English

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147

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2017-07-01T00:00:00Z

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28711038

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