Calculating singlet excited states: Comparison with fast time-resolved infrared spectroscopy of coumarins.

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A 100 kHz Time-Resolved Multiple-Probe Femtosecond to Second Infrared Absorption Spectrometer.Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates.

P2860

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Calculating singlet excited states: Comparison with fast time-resolved infrared spectroscopy of coumarins.

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2015年論文

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2015年論文

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Calculating singlet excited st ...... red spectroscopy of coumarins.

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Calculating singlet excited st ...... red spectroscopy of coumarins.

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Calculating singlet excited st ...... red spectroscopy of coumarins.

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Calculating singlet excited st ...... red spectroscopy of coumarins.

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Calculating singlet excited st ...... red spectroscopy of coumarins.

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Calculating singlet excited st ...... red spectroscopy of coumarins.

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P1476

Calculating singlet excited st ...... red spectroscopy of coumarins.

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Alisdair Wriglesworth

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Ian P Clark

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James A Calladine

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Magnus W D Hanson-Heine

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Maliha Uroos

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Michael W George

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Michelle Hamilton

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EDF2: A Density Functional for Predicting Molecular Vibrational Frequencies

Influence of solvent and substituent on excited state characteristics of laser grade coumarin dyes.

Advances in methods and algorithms in a modern quantum chemistry program package.

Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes.

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

Assessment of a Coulomb-attenuated exchange-correlation energy functional.

Photophysics of threaded sp-carbon chains: the polyyne is a sink for singlet and triplet excitation

Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes.

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154119

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scholarly article

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10.1063/1.4917311

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English

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142

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2015-04-01T00:00:00Z

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25903878

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infrared spectroscopy

Calculating singlet excited states: Comparison with fast time-resolved infrared spectroscopy of coumarins.

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Calculating singlet excited states: Comparison with fast time-resolved infrared spectroscopy of coumarins.

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P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P921

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P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P921