Improved Infrared Spectra Prediction by DFT from a New Experimental Database.

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Combined Liquid Chromatography-Infrared Ion Spectroscopy for Identification of Regioisomeric Drug Metabolites.

P2860

Q42290989-48BD71BF-F7CB-461A-8BB1-2F670568FCE3

P2860

Improved Infrared Spectra Prediction by DFT from a New Experimental Database.

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2017 nî lūn-bûn

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2017年の論文

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Improved Infrared Spectra Prediction by DFT from a New Experimental Database.

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Improved Infrared Spectra Prediction by DFT from a New Experimental Database.

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Improved Infrared Spectra Prediction by DFT from a New Experimental Database.

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P1476

Improved Infrared Spectra Prediction by DFT from a New Experimental Database.

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P2093

Duncan Carmichael

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Madanakrishna Katari

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Vincent Steinmetz

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional exchange-energy approximation with correct asymptotic behavior

The utility of ETD mass spectrometry in proteomic analysis

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

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Principles of electron capture and transfer dissociation mass spectrometry applied to peptide and protein structure analysis.

Infrared multiple photon dissociation spectroscopy of ions in Penning traps.

Infrared spectroscopy of organometallic ions in the gas phase: from model to real world complexes.

Structure of electron-capture dissociation fragments from charge-tagged peptides probed by tunable infrared multiple photon dissociation.

Transferable specific scaling factors for interpretation of infrared spectra of biomolecules from density functional theory.

P304

8414-8423

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P31

scholarly article

P356

10.1002/CHEM.201700340

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

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P50

Gilles Frison

Edith NICOL

Guillaume van der Rest

P577

2017-03-13T00:00:00Z

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P698

28295724

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Improved Infrared Spectra Prediction by DFT from a New Experimental Database.

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P2860

P2860

Improved Infrared Spectra Prediction by DFT from a New Experimental Database.

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type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P921

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P921