Ab initio study on the molecular structure and spectroscopic properties of isomers of SO3

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2020.118746 ◽

2020 ◽

Vol 242 ◽

pp. 118746

Author(s):

Lihan Chi ◽

Meishan Wang ◽

Chuanlu Yang ◽

Yanli Liu ◽

Shanshan Ma ◽

...

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Spectroscopic Properties ◽

Ab Initio Study

Download Full-text

The molecular structure and spectroscopic properties of C3H2O and its isomers: an ab initio study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2021.120388 ◽

2021 ◽

pp. 120388

Author(s):

Xiaomin Song ◽

Meishan Wang ◽

Chuanlu Yang ◽

Yanli Liu ◽

Shanshan Ma ◽

...

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Spectroscopic Properties ◽

Ab Initio Study

Download Full-text

Ab initio study of the molecular structure and spectroscopic properties of tetraazatetracyclotridecane and tetrakis(dimethylamino)methane

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00365-5 ◽

1998 ◽

Vol 429 ◽

pp. 247-253 ◽

Author(s):

V. Galasso ◽

D. Jones ◽

Jack E. Richman

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Spectroscopic Properties ◽

Ab Initio Study

Download Full-text

Structure, Spectroscopic Properties and Reactions of Interstellar Molecule HC2N and Isomers :Ab initio Study

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2002.23.11.1553 ◽

2002 ◽

Vol 23 (11) ◽

pp. 1553-1559 ◽

Keyword(s):

Ab Initio ◽

Spectroscopic Properties ◽

Ab Initio Study ◽

Interstellar Molecule

Download Full-text

ChemInform Abstract: Ab initio Study of the Molecular Structure and NMR Carbon-Lithium Coupling Constant for Trichloromethyllithium.

10.1002/chin.199523020 ◽

2010 ◽

Vol 26 (23) ◽

pp. no-no

Author(s):

T. KOIZUMI ◽

O. KIKUCHI

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Ab Initio Study ◽

Coupling Constant

Download Full-text

An ab initio study of many isomers of S2O2. A combined theoretical and experimental analysis of the harmonic force field and molecular structure of cis-planar OSSO

Chemical Physics ◽

10.1016/0301-0104(90)87068-m ◽

1990 ◽

Vol 141 (2-3) ◽

pp. 335-353 ◽

Author(s):

Colin J. Marsden ◽

Brian J. Smith

Keyword(s):

Molecular Structure ◽

Force Field ◽

Ab Initio ◽

Experimental Analysis ◽

Ab Initio Study ◽

Download Full-text

Ab initio study of molecular structure and hyperfine coupling constants of 1,3,5-cycloheptatriene radical cation

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00270-4 ◽

1998 ◽

Vol 428 (1-3) ◽

pp. 143-148 ◽

Author(s):

Yuichi Inadomi ◽

Kenji Morihashi ◽

Osamu Kikuchi

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Radical Cation ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Ab Initio Study ◽

Hyperfine Coupling Constants

Download Full-text

Ab initio Study on Spectroscopic Properties of GdF3 and GdCl3

10.1002/chin.200432009 ◽

2004 ◽

Vol 35 (32) ◽

Author(s):

Giuseppe Lanza ◽

Camilla Minichino

Keyword(s):

Ab Initio ◽

Spectroscopic Properties ◽

Ab Initio Study

Download Full-text

ChemInform Abstract: An ab initio Study of the Molecular Structure and Vibration-Rotation Spectrum of the Triplet Radical HCCN.

10.1002/chin.198823119 ◽

1988 ◽

Vol 19 (23) ◽

Author(s):

P.-A. MALMQUIST ◽

R. LINDH ◽

B. O. ROOS ◽

S. ROSS

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Ab Initio Study ◽

Vibration Rotation ◽

Rotation Spectrum

Download Full-text

ChemInform Abstract: Balancing Steric and Electronic Factors in Push-Pull Benzenes: An ab initio Study on the Molecular Structure of 1,3,5-Triamino-2,4,6- trinitrobenzene and Related Compounds.

10.1002/chin.199408059 ◽

2010 ◽

Vol 25 (8) ◽

pp. no-no

Author(s):

K. K. BALDRIDGE ◽

J. S. SIEGEL

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Ab Initio Study ◽

Related Compounds

Download Full-text

ChemInform Abstract: 1,2-Dichlorotetrafluorocyclobutene: Gas-Phase Molecular Structure and Quadratic Force Field from an Electron-Diffraction and ab initio Study.

10.1002/chin.199039052 ◽

1990 ◽

Vol 21 (39) ◽

Author(s):

H. THOMASSEN ◽

K. HEDBERG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Quadratic Force Field

Download Full-text