A density functional study of second-row dicarbides C2X (X = Na-Cl) with carbon monosulfide molecule: molecular structure and bonding mechanism

Materials Research Express ◽

10.1088/2053-1591/aabb20 ◽

2018 ◽

Vol 5 (5) ◽

pp. 055604 ◽

Author(s):

Saroj K Parida ◽

Sridhar Sahu

Keyword(s):

Molecular Structure ◽

Density Functional ◽

Functional Study ◽

Bonding Mechanism ◽

Density Functional Study ◽

Structure And Bonding ◽

Carbon Monosulfide

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Microscopic structure and bonding at the Pd/SrTiO3 (001) Interface an ab-initio local-density-functional study

Integrated Ferroelectrics ◽

10.1080/10584580108215697 ◽

2001 ◽

Vol 32 (1-4) ◽

pp. 267-278 ◽

Author(s):

Thorsten Ochs ◽

Sibylle Köstlmeier ◽

Christian Elsässer

Keyword(s):

Ab Initio ◽

Density Functional ◽

Local Density ◽

Functional Study ◽

Microscopic Structure ◽

Density Functional Study ◽

Local Density Functional ◽

Structure And Bonding

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Density functional study on the electronic and molecular structure of the hydroformylation catalyst HCo(CO)3

Organometallics ◽

10.1021/om00033a034 ◽

1993 ◽

Vol 12 (9) ◽

pp. 3586-3593 ◽

Author(s):

Tom Ziegler ◽

Luigi Cavallo ◽

Attila Berces

Keyword(s):

Molecular Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder

Inorganic Chemistry ◽

10.1021/ic000550y ◽

2001 ◽

Vol 40 (2) ◽

pp. 371-378 ◽

Author(s):

Benoît Domercq ◽

Claude Coulon ◽

Marc Fourmigué

Keyword(s):

Molecular Structure ◽

Density Functional ◽

Three Dimensional ◽

Functional Study ◽

Spin Ladder ◽

Density Functional Study

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Carbon monosulfide (CS) interaction with third-row maingroup dicarbides, C2X (X = K-Br): A density functional study

Chemical Physics Letters ◽

10.1016/j.cplett.2017.09.061 ◽

2017 ◽

Vol 689 ◽

pp. 219-222 ◽

Author(s):

Saroj K. Parida

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Carbon Monosulfide

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Density functional study of carbon clusters C2n (2⩽n⩽16). I. Structure and bonding in the neutral clusters

The Journal of Chemical Physics ◽

10.1063/1.478414 ◽

1999 ◽

Vol 110 (11) ◽

pp. 5189-5200 ◽

Author(s):

R. O. Jones

Keyword(s):

Density Functional ◽

Functional Study ◽

Carbon Clusters ◽

Density Functional Study ◽

Structure And Bonding

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Density functional study on the molecular structure, infrared and Raman spectra, and vibrational assignment for 4-thiocarbamoylpyridine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2005.12.044 ◽

2006 ◽

Vol 791 (1-3) ◽

pp. 70-76 ◽

Author(s):

R. Wysokiński ◽

D. Michalska ◽

D.C. Bieńko ◽

S. Ilakiamani ◽

N. Sundaraganesan ◽

...

Keyword(s):

Molecular Structure ◽

Raman Spectra ◽

Density Functional ◽

Functional Study ◽

Infrared And Raman Spectra ◽

Vibrational Assignment ◽

Density Functional Study

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Linkage Isomerism in Complexes ofo-Xylylene: Density Functional Study of the Structure and Bonding inendo- andexo-Ru(PH3)3(o-xylylene)

Organometallics ◽

10.1021/om9600755 ◽

1996 ◽

Vol 15 (14) ◽

pp. 3109-3114 ◽

Author(s):

John E. McGrady ◽

Robert Stranger ◽

Mark Bown ◽

Martin A. Bennett

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Linkage Isomerism ◽

Structure And Bonding

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Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.06.011 ◽

2009 ◽

Vol 74 (2) ◽

pp. 312-323 ◽

Author(s):

S. Sebastian ◽

N. Sundaraganesan ◽

S. Manoharan

Keyword(s):

Molecular Structure ◽

Ferulic Acid ◽

Density Functional ◽

Spectroscopic Studies ◽

Functional Study ◽

Density Functional Study ◽

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Density Functional Study on Structure and Bonding Nature of CO Adsorbed Rh n +/− (n = 2–8) Clusters

Journal of Cluster Science ◽

10.1007/s10876-017-1241-x ◽

2017 ◽

Vol 28 (5) ◽

pp. 2601-2622 ◽

Author(s):

Abhijit Dutta ◽

Paritosh Mondal

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structure And Bonding

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Molecular structure and vibrational assignment of (trifluoroacetyl) acetone: A density functional study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2005.10.042 ◽

2006 ◽

Vol 787 (1-3) ◽

pp. 148-162 ◽

Author(s):

Heidar Raissi ◽

Alireza Nowroozi ◽

Mozhgan Roozbeh ◽

Farzaneh Farzad

Keyword(s):

Molecular Structure ◽

Density Functional ◽

Functional Study ◽

Vibrational Assignment ◽

Density Functional Study

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