DFT studies on the structural and vibrational properties of polyenes.

about

DFT studies on the structural and vibrational properties of polyenes.

Item

http://www.wikidata.org/entity/Q36768241

description

2016 nî lūn-bûn

@nan

2016年の論文

@ja

2016年論文

@yue

2016年論文

@zh-hant

2016年論文

@zh-hk

2016年論文

@zh-mo

2016年論文

@zh-tw

2016年论文

@wuu

2016年论文

@zh

2016年论文

@zh-cn

name

DFT studies on the structural and vibrational properties of polyenes.

@ast

DFT studies on the structural and vibrational properties of polyenes.

@en

type

Item

label

DFT studies on the structural and vibrational properties of polyenes.

@ast

DFT studies on the structural and vibrational properties of polyenes.

@en

prefLabel

DFT studies on the structural and vibrational properties of polyenes.

@ast

DFT studies on the structural and vibrational properties of polyenes.

@en

P1476

DFT studies on the structural and vibrational properties of polyenes.

@en

P2093

Aneta Buczek

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

Michał Stachów

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

Przemysław Tarnowski

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

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

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

Self-Consistent Equations Including Exchange and Correlation Effects

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

Gas-phase Raman spectra of s-trans- and s-gauche-1,3-butadiene and their deuterated isotopologues.

Predicting the structure and vibrational frequencies of ethylene using harmonic and anharmonic approaches at the Kohn-Sham complete basis set limit.

Estimation of formamide harmonic and anharmonic modes in the Kohn-Sham limit using the polarization consistent basis sets.

Efficient Modeling of NMR Parameters in Carbon Nanosystems.

Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods.

P2888

s00894-016-2969-1

P304

101

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

P31

scholarly article

P356

10.1007/S00894-016-2969-1

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

P433

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

P478

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

P50

Teobald Kupka

Małgorzata A Broda

P577

2016-04-06T00:00:00Z

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

P698

27048200

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

P932

4821862

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