IR spectra, crystal structure, dipole moment, ab initio and AM1 study of 1,2-dinitroethane

IR spectra, crystal structure, dipole moment, ab initio and AM1 study of 1,2-dinitroethane

Journal of the Chemical Society, Perkin Transactions 2

Saved in:

書目詳細資料
Main Authors:	Lam, Y.-L., Koh, L.L., Huang, H.H.
其他作者:	CHEMISTRY
格式:	Article
出版:	2014
在線閱讀:	http://scholarbank.nus.edu.sg/handle/10635/111950
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!

相似書籍

Structure and spectra of tetrasulfur S4 - An ab initio MO study
由: Wong, M.W., et al.
出版: (2014)

Ab Initio calculations on normal mode vibrations and The raman and IR spectra of the [B3O6]3- metaborate ring
由: Wu, K., et al.
出版: (2014)

Ab Initio Crystal Field for Lanthanides
由: Ungur, Liviu, et al.
出版: (2022)

The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane: a molecular orbital, dipole moment and kerr effect study
由: Chong, Y.S., et al.
出版: (2014)

The gas phase conformers and vibrational spectra of valine, leucine and isoleucine: An ab initio study
由: Supaporn Dokmaisrijan, et al.
出版: (2018)

The gas phase conformers and vibrational spectra of valine, leucine and isoleucine: An ab initio study
由: Dokmaisrijan S., et al.
出版: (2014)

3133-3139 Ab initio elasticity of poly(lactic acid) crystals
由: Lin, T., et al.
出版: (2014)

Ab initio studies of hydrogen and oxygen chemisorptions on the cubic BN(1 1 1) surface
由: Yang, S.W., et al.
出版: (2014)

Doubly and triply linked porphyrin-perylene monoimides as near IR dyes with large dipole moments and high photostability
由: Jiao, C., et al.
出版: (2014)

An ab initio study on the thermal decomposition of γ-thiobutyrolactone
由: Huang, H.H., et al.
出版: (2014)

AB-INITIO STUDY OF HYDRAZINE DECOMPOSITION ON THE SURFACE OF CATALAYST M-NI(111) (M = PT, PD, RH, IR)
由: Irwansyah

Introduction to Ab initio molecular dynamics
由: Hutter, Jürg
出版: (2020)

An ab initio study of the thermochemistry of haloallenes
由: Novak, I.
出版: (2014)

Ab initio studies of borazine and benzene cyclacenes
由: Yang, S.W., et al.
出版: (2014)

Comparative ab initio and DFT study of neutral aniline oligomers
由: Lim, S.L., et al.
出版: (2014)

THE FUNCTION OF ATOMIC POLARIZATION IN THE MEASURMENT OF DIPOLE MOMENTS
由: HUANG HSING HUA
出版: (2020)

Ab initio constrained crystal-chemical Rietveld refinement of Ca10(VxP1-xO4)6F2 apatites
由: Mercier, Patrick H. J., et al.
出版: (2011)

Magnetic anisotropy of Co-II-W-V ferromagnet: single crystal and ab initio study
由: Chorazy, Szymon, et al.
出版: (2022)

Ab initio study on thermal decomposition of γ-butyrolactone
由: Li, Z.-H., et al.
出版: (2014)

Ab initio thermochemistry of some halogenated cyclopropanes
由: Novak, I.
出版: (2014)

Ab initio thermochemistry of some halofurans and halothiophenes
由: Novak, I.
出版: (2014)

AB INITIO DESIGN AND UNDERSTANDING OF HETEROGENEOUS CATALYSTS
由: YAM KAH MENG
出版: (2021)

On Measuring the Electron Electric Dipole Moment in Trapped Molecular Ions
由: Leanhardt, Aaron E, et al.
出版: (2021)

Investigation of metal diffusion into polymers by ab initio molecular dynamics
由: Dai, L., et al.
出版: (2014)

DIPOLE MOMENT STUDIES OF SOME SUBSTITUTED AROMATIC COMPOUNDS
由: FOO JONG KIM
出版: (2020)

Prediction of defects in PZT thin film using ab-initio method
由: Zhang, Z., et al.
出版: (2014)

Accurately reproducing ab initio electrostatic potentials with multipoles and fragmentation
由: Le, H.-A., et al.
出版: (2014)

Rotational isomerism and crystal structure of 1,1'-dicyano- 1,1'-bicyclooctyl
由: Yong, K.S., et al.
出版: (2014)

Investigation of heterostructure characteristics from AB initio principles
由: Chan, Yong Ming
出版: (2019)

Ab initio study of cyclohexane dehydrogenation on Pt(111)
由: Tsuda, Muneyuki, et al.
出版: (2005)

Ab initio vs molecular mechanics thermochemistry: Homocubanes
由: Novak, I.
出版: (2014)

Ab initio simulation of metal cluster surrounded by electrolyte
由: Izvekov, S., et al.
出版: (2014)

Ferromagnetism in Mg-doped AlN from ab initio study
由: Wu, R.Q., et al.
出版: (2014)

Ab initio study of single-wall BC2 N nanotubes
由: Pan, H., et al.
出版: (2014)

Adsorptions of methane and ethane molecules on silanol covered silicalite-1 (010) surface : AB initio fitted potential
由: Rungroj Chanajaree
出版: (2011)

Ab initio study of OH-functionalized single-wall carbon nanotubes
由: Pan, H., et al.
出版: (2014)

Stereochemistry of radical halogenation reactions. An ab initio molecular orbital study
由: Li, Z.-H., et al.
出版: (2014)

A physicochemical study of isocoumarin, 3,4-dihydroisocoumarin, and bis-3,4-dihydroisocoumarin by dipole moment, infrared, ultraviolet, and polarographic measurements
由: Chong, Y.S., et al.
出版: (2014)

Chemisorption of NH3 on Si(100)-(2 x 1): A study by first-principles ab initio and density functional theory
由: Loh, Z.-H., et al.
出版: (2014)

Ab initio derivation of Hubbard models for cold atoms in optical lattices
由: Walters, R., et al.
出版: (2014)