Thermodynamic DFT analysis of natural gas.

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Thermodynamic DFT analysis of natural gas.

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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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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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2017年學術文章

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Thermodynamic DFT analysis of natural gas.

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Thermodynamic DFT analysis of natural gas.

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Thermodynamic DFT analysis of natural gas.

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Thermodynamic DFT analysis of natural gas.

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Thermodynamic DFT analysis of natural gas.

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Thermodynamic DFT analysis of natural gas.

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P1476

Thermodynamic DFT analysis of natural gas.

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P2093

Abel F G Neto

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Antonio M J C Neto

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

Francisco C Marques

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Muhammad N Huda

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Rosivaldo S Borges

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P2860

Gaussian-4 theory

PROGRESS IN DETAILED KINETIC MODELING OF THE COMBUSTION OF OXYGENATED COMPONENTS OF BIOFUELS

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species.

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

Sequential metalation of benzene: electronic, bonding, magnetotropic and spectroscopic properties of coinage metalated benzenes studied by DFT.

Injection, transport, absorption and phosphorescence properties of a series of platinum (II) complexes with N-heterocyclic carbenes: a DFT and time-dependent DFT study.

A Molecular Dynamics of Cold Neutral Atoms Captured by Carbon Nanotube Under Electric Field and Thermal Effect as a Selective Atoms Sensor.

A Database of Formation Enthalpies of Nitrogen Species by Compound Methods (CBS-QB3, CBS-APNO, G3, G4).

Thermodynamic analysis of fuels in gas phase: ethanol, gasoline and ethanol - gasoline predicted by DFT method.

P2888

s00894-017-3401-1

P304

224

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P31

scholarly article

P356

10.1007/S00894-017-3401-1

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P433

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

P478

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

P577

2017-07-14T00:00:00Z

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P698

28710571

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P921

natural gas