Computational study on the structural, electronic, molecular and thermochemical properties of hypothetical [Tp(CO)2Mo≡C-Ph)]2+ and [L(CO)2Mo≡C-Ph)]+ carbyne complexes

Zinet ZAİM; Duran KARAKAŞ

doi:10.17776/csj.826772

Computational study on the structural, electronic, molecular and thermochemical properties of hypothetical [Tp(CO)2Mo≡C-Ph)]2+ and [L(CO)2Mo≡C-Ph)]+ carbyne complexes

Cumhuriyet Science Journal ◽

10.17776/csj.826772 ◽

2021 ◽

Vol 42 (1) ◽

pp. 45-59

Author(s):

Zinet ZAİM ◽

Duran KARAKAŞ

Keyword(s):

Computational Study ◽

Thermochemical Properties ◽

Carbyne Complexes

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Acidities, Proton Affinities, and Other Thermochemical Properties of Hypohalous Acids HOX (X = F−I): A High-Level Computational Study

The Journal of Physical Chemistry ◽

10.1021/jp952561w ◽

1996 ◽

Vol 100 (9) ◽

pp. 3498-3503 ◽

Cited By ~ 28

Author(s):

Mikhail N. Glukhovtsev ◽

Addy Pross ◽

Leo Radom

Keyword(s):

Computational Study ◽

Thermochemical Properties ◽

Proton Affinities ◽

Hypohalous Acids ◽

High Level

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Thermochemical Properties for Isooctane and Carbon Radicals: Computational Study

The Journal of Physical Chemistry A ◽

10.1021/jp3041154 ◽

2013 ◽

Vol 117 (2) ◽

pp. 421-429 ◽

Cited By ~ 10

Author(s):

Suarwee Snitsiriwat ◽

Joseph W. Bozzelli

Keyword(s):

Computational Study ◽

Thermochemical Properties ◽

Carbon Radicals

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Computational Study on Thermochemical Properties for Perhalogenated Methanols (CX3OH) (X = F, Cl, Br)

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b01215 ◽

2015 ◽

Vol 119 (15) ◽

pp. 3615-3620 ◽

Cited By ~ 5

Author(s):

Ahmad I. Alrawashdeh ◽

Raymond A. Poirier

Keyword(s):

Computational Study ◽

Thermochemical Properties

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Computational study on structures, thermochemical properties, and bond energies of disulfide oxygen (S-S-O)-bridged CH3 SSOH and CH3 SS(=O)H and radicals

Journal of Physical Organic Chemistry ◽

10.1002/poc.1942 ◽

2011 ◽

Vol 25 (6) ◽

pp. 475-485 ◽

Cited By ~ 7

Author(s):

Shyamala Pillai ◽

Joseph W. Bozzelli

Keyword(s):

Computational Study ◽

Thermochemical Properties ◽

Bond Energies

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The ionization potential of NF 3 : a G3 computational study on the thermochemical properties of NF x and NF x + ( x =1–3)

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00325-5 ◽

2000 ◽

Vol 497 (1-3) ◽

pp. 205-209 ◽

Cited By ~ 14

Author(s):

M. Aschi ◽

F. Grandinetti

Keyword(s):

Ionization Potential ◽

Computational Study ◽

Thermochemical Properties

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Computational Study on Joint Visual Attention How with Intentional Agency by Serial Architecture with Goals and Means

PsycEXTRA Dataset ◽

10.1037/e428862008-001 ◽

2008 ◽

Author(s):

Konno Takeshi ◽

Hashimoto Takashi

Keyword(s):

Visual Attention ◽

Computational Study ◽

Joint Visual Attention ◽

Intentional Agency

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Thermochemical properties and trends in the rare earth alloy systems

Journal de Chimie Physique ◽

10.1051/jcp/1997940905 ◽

1997 ◽

Vol 94 ◽

pp. 905-918 ◽

Cited By ~ 2

Author(s):

R Ferro ◽

G Borzone

Keyword(s):

Rare Earth ◽

Thermochemical Properties ◽

Rare Earth Alloy ◽

Alloy Systems ◽

The Rare Earth

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Computational Study of Site-Specific Correlations among Oxygen Reduction Intermediates on Pd3Y (111)

Journal of Advanced Catalysis Science and Technology ◽

10.15379/2408-9834.2014.01.02.1 ◽

2014 ◽

Vol 1 (2) ◽

pp. 1-9 ◽

Cited By ~ 1

Author(s):

Masoud Aryanpour ◽

Keyword(s):

Oxygen Reduction ◽

Computational Study ◽

Site Specific

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Stress transfer characteristics of sheathed strand in prestressed concrete beams: computational study

PCI Journal ◽

10.15554/pcij.06012014.95.109 ◽

2014 ◽

Vol 59 (3) ◽

pp. 95-109 ◽

Cited By ~ 3

Author(s):

Rigoberto Burgueño ◽

Yi Sun

Keyword(s):

Prestressed Concrete ◽

Concrete Beams ◽

Computational Study ◽

Stress Transfer ◽

Transfer Characteristics

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COMPUTATIONAL STUDY OF A TRAILBLAZER MULTI REACTOR TUNDISH (MRT) FOR IMPROVING YIELD AND QUALITY OF STEEL DURING CONTINUOUS CASTING

International Journal of Research in Engineering and Technology ◽

10.15623/ijret.2013.0209054 ◽

2013 ◽

Vol 02 (09) ◽

pp. 359-364 ◽

Cited By ~ 1

Author(s):

Debasish Chatterjee .

Keyword(s):

Continuous Casting ◽

Computational Study ◽

Yield And Quality

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