C1?C2 bond cleavage in vinylidenecyclopropanes: Theoretical density functional theory study

Nurbosyn U. Zhanpeisov; Kazuhiko Mizuno; Masakazu Anpo; Jerzy Leszczynski

doi:10.1002/qua.10728

C1?C2 bond cleavage in vinylidenecyclopropanes: Theoretical density functional theory study

International Journal of Quantum Chemistry ◽

10.1002/qua.10728 ◽

2003 ◽

Vol 96 (4) ◽

pp. 343-348 ◽

Cited By ~ 7

Author(s):

Nurbosyn U. Zhanpeisov ◽

Kazuhiko Mizuno ◽

Masakazu Anpo ◽

Jerzy Leszczynski

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Cleavage ◽

Theoretical Density ◽

Density Functional Theory Study ◽

Functional Theory

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Infrared spectra of syn and anti isomers of benzaldoxime and pyridine-4-aldoxime: an experimental matrix isolation and theoretical density functional theory study

Vibrational Spectroscopy ◽

10.1016/s0924-2031(01)00101-1 ◽

2001 ◽

Vol 26 (1) ◽

pp. 65-82 ◽

Cited By ~ 27

Author(s):

Tetyana Stepanenko ◽

Leszek Lapinski ◽

Maciej J Nowak ◽

Ludwik Adamowicz

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Density Functional ◽

Matrix Isolation ◽

Theoretical Density ◽

Density Functional Theory Study ◽

Functional Theory

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Photoisomerization reactions of 4-methoxy- and 4-hydroxy-6-methyl-α-pyrones: An experimental matrix isolation and theoretical density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/b308116h ◽

2003 ◽

Vol 5 (20) ◽

pp. 4527-4532 ◽

Cited By ~ 11

Author(s):

Susana Breda ◽

Leszek Lapinski ◽

Rui Fausto ◽

Maciej J. Nowak

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Theoretical Density ◽

Density Functional Theory Study ◽

Functional Theory

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C-C and C-H bond cleavage reactions in the chrysene and perylene aromatic molecules: An ab-initio density functional theory study

European Journal of Chemistry ◽

10.5155/eurjchem.8.3.288-292.1561 ◽

2017 ◽

Vol 8 (3) ◽

pp. 288-292 ◽

Cited By ~ 1

Author(s):

Muthana Abduljabbar Shanshal ◽

Qhatan Adnan Yusuf

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Bond Cleavage ◽

Density Functional Theory Study ◽

Functional Theory ◽

Aromatic Molecules ◽

Cleavage Reactions

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A Density Functional Theory Study on the Mechanism of Complete Ethanol Oxidation on Ir(100): Surface Diffusion-Controlled C–C Bond Cleavage

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c09495 ◽

2020 ◽

Vol 124 (49) ◽

pp. 26953-26964

Author(s):

Ruitao Wu ◽

Lichang Wang

Keyword(s):

Density Functional Theory ◽

Surface Diffusion ◽

Density Functional ◽

Ethanol Oxidation ◽

Bond Cleavage ◽

Density Functional Theory Study ◽

Functional Theory ◽

Diffusion Controlled

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A Density Functional Theory Study on the Kinetics and Thermodynamics of N-Glycosidic Bond Cleavage in 5-Substituted 2′-Deoxycytidines

Biochemistry ◽

10.1021/bi300797q ◽

2012 ◽

Vol 51 (32) ◽

pp. 6458-6462 ◽

Cited By ~ 19

Author(s):

Renee T. Williams ◽

Yinsheng Wang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Cleavage ◽

Glycosidic Bond ◽

Density Functional Theory Study ◽

Functional Theory ◽

Kinetics And Thermodynamics ◽

Glycosidic Bond Cleavage

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Photochemical Syn−Anti Isomerization Reaction in 1-Methyl-N4-hydroxycytosine. An Experimental Matrix Isolation and Theoretical Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp001595n ◽

2000 ◽

Vol 104 (42) ◽

pp. 9459-9466 ◽

Cited By ~ 10

Author(s):

Tetyana Stepanenko ◽

Leszek Lapinski ◽

Andrzej L. Sobolewski ◽

Maciej J. Nowak ◽

Borys Kierdaszuk

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Theoretical Density ◽

Isomerization Reaction ◽

Density Functional Theory Study ◽

Functional Theory

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A Systematic Density Functional Theory Study of the C−N Bond Cleavage of Methylamine on Metals

The Journal of Physical Chemistry B ◽

10.1021/jp062975x ◽

2006 ◽

Vol 110 (29) ◽

pp. 14300-14303 ◽

Cited By ~ 7

Author(s):

Jun Li ◽

Rui-Fang Li ◽

Gui-Chang Wang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Cleavage ◽

Density Functional Theory Study ◽

Functional Theory

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Oxygen Vacancy Formation on Rutile TiO2(110) and Its Interaction with Molecular Oxygen: A Theoretical Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp074869g ◽

2007 ◽

Vol 111 (45) ◽

pp. 16941-16945 ◽

Cited By ~ 18

Author(s):

Nurbosyn U. Zhanpeisov ◽

Hiroshi Fukumura

Keyword(s):

Density Functional Theory ◽

Oxygen Vacancy ◽

Molecular Oxygen ◽

Density Functional ◽

Theoretical Density ◽

Vacancy Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Rutile Tio2 ◽

Oxygen Vacancy Formation

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A density functional theory study on peptide bond cleavage at aspartic residues: direct vs cyclic intermediate hydrolysis

Journal of Molecular Modeling ◽

10.1007/s00894-013-2054-y ◽

2013 ◽

Vol 19 (12) ◽

pp. 5501-5513 ◽

Cited By ~ 21

Author(s):

Wichien Sang-aroon ◽

Vittaya Amornkitbamrung ◽

Vithaya Ruangpornvisuti

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Cleavage ◽

Peptide Bond ◽

Density Functional Theory Study ◽

Functional Theory ◽

Peptide Bond Cleavage ◽

Cyclic Intermediate

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Density Functional Theory Study of N–CN and O–CN Bond Cleavage by an Iron Silyl Complex

Organometallics ◽

10.1021/om300232h ◽

2012 ◽

Vol 31 (10) ◽

pp. 3995-4005 ◽

Cited By ~ 15

Author(s):

AbdelRahman A. Dahy ◽

Nobuaki Koga ◽

Hiroshi Nakazawa

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Cleavage ◽

Density Functional Theory Study ◽

Functional Theory ◽

Silyl Complex

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