Raman spectral evidence of methyl rotation in liquid toluene.

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Vibrational spectroscopic studies and DFT calculations on NaCH3CO2(aq) and CH3COOH(aq).Transferability of anharmonic force fields in simulations of molecular vibrations.Graphene mediated self-assembly of fullerene nanorods.

P2860

Q46958483-CF1DB600-0237-42F3-9375-2BEDC7FABE5A Q51042001-F7F7EEE6-A2C5-4D82-997B-C2534558047D Q53357203-D5DD16A0-E09A-4E45-98DB-32C0225E5D0B

P2860

Raman spectral evidence of methyl rotation in liquid toluene.

Item

http://www.wikidata.org/entity/Q46765079

description

2007 nî lūn-bûn

@nan

2007年の論文

@ja

2007年学术文章

@wuu

2007年学术文章

@zh

2007年学术文章

@zh-cn

2007年学术文章

@zh-hans

2007年学术文章

@zh-my

2007年学术文章

@zh-sg

2007年學術文章

@yue

2007年學術文章

@zh-hant

name

Raman spectral evidence of methyl rotation in liquid toluene.

@en

Raman spectral evidence of methyl rotation in liquid toluene.

@nl

type

Item

label

Raman spectral evidence of methyl rotation in liquid toluene.

@en

Raman spectral evidence of methyl rotation in liquid toluene.

@nl

prefLabel

Raman spectral evidence of methyl rotation in liquid toluene.

@en

Raman spectral evidence of methyl rotation in liquid toluene.

@nl

P1476

Raman spectral evidence of methyl rotation in liquid toluene.

@en

P2093

Josef Kapitán

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

Lutz Hecht

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

Petr Bour

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

P2860

Proline zwitterion dynamics in solution, glass, and crystalline state.

Ab initio molecular dynamics with density functional theory.

Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability.

The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking.

Reassessment of methyl rotation barriers and conformations by correlated quantum chemistry methods.

Macroscopic transport by synthetic molecular machines.

Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculations.

Demonstration of the ring conformation in polyproline by the Raman optical activity.

Vibrational computations beyond the harmonic approximation: performances of the B3LYP density functional for semirigid molecules.

Simulations of vibrational spectra from classical trajectories: calibration with ab initio force fields.

P304

1003-1008

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

P31

scholarly article

P356

10.1039/B713965A

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P407

English

P433

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

P478

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

P577

2007-12-10T00:00:00Z

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

P5875

5591873

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

P698

18259640

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

Raman spectral evidence of methyl rotation in liquid toluene.

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P2860

P2860

Raman spectral evidence of methyl rotation in liquid toluene.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P5875

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P5875

P698