Molecular Structure, Vibrational Spectra, Quantum Chemical Calculations and Photochemistry of Picolinamide and Isonicotinamide Isolated in Cryogenic Inert Matrixes and in the Neat Low-Temperature Solid Phases

Ana Borba; Andrea Gómez-Zavaglia; R. Fausto

doi:10.1021/jp0765547

Molecular Structure, Vibrational Spectra, Quantum Chemical Calculations and Photochemistry of Picolinamide and Isonicotinamide Isolated in Cryogenic Inert Matrixes and in the Neat Low-Temperature Solid Phases

The Journal of Physical Chemistry A ◽

10.1021/jp0765547 ◽

2008 ◽

Vol 112 (1) ◽

pp. 45-57 ◽

Cited By ~ 16

Author(s):

Ana Borba ◽

Andrea Gómez-Zavaglia ◽

R. Fausto

Keyword(s):

Molecular Structure ◽

Low Temperature ◽

Quantum Chemical Calculations ◽

Vibrational Spectra ◽

Quantum Chemical ◽

Solid Phases

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1,3-Dimethyl-3-silapiperidine: Synthesis, Molecular Structure, and Conformational Analysis by Gas-Phase Electron Diffraction, Low Temperature NMR, IR and Raman Spectroscopy, and Quantum Chemical Calculations

The Journal of Organic Chemistry ◽

10.1021/jo400289g ◽

2013 ◽

Vol 78 (8) ◽

pp. 3939-3947 ◽

Cited By ~ 19

Author(s):

Bagrat A. Shainyan ◽

Svetlana V. Kirpichenko ◽

Erich Kleinpeter ◽

Sergey A. Shlykov ◽

Dmitriy Yu. Osadchiy ◽

...

Keyword(s):

Molecular Structure ◽

Raman Spectroscopy ◽

Electron Diffraction ◽

Low Temperature ◽

Conformational Analysis ◽

Gas Phase ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Ir And Raman ◽

Gas Phase Electron Diffraction

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Molecular Structure and Conformational Analysis of 1-Phenyl-1-X-1-Silacyclohexanes (X = F, Cl) by Electron Diffraction, Low-Temperature NMR, and Quantum Chemical Calculations

The Journal of Organic Chemistry ◽

10.1021/acs.joc.6b02538 ◽

2016 ◽

Vol 82 (1) ◽

pp. 461-470 ◽

Cited By ~ 7

Author(s):

Bagrat A. Shainyan ◽

Alexander V. Belyakov ◽

Yurii F. Sigolaev ◽

Alexander N. Khramov ◽

Erich Kleinpeter

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Low Temperature ◽

Conformational Analysis ◽

Quantum Chemical Calculations ◽

Quantum Chemical

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Molecular structure and conformational analysis of 3-methyl-3-phenyl-3-silatetrahydropyran. Gas-phase electron diffraction, low temperature NMR and quantum chemical calculations

Tetrahedron ◽

10.1016/j.tet.2015.03.117 ◽

2015 ◽

Vol 71 (23) ◽

pp. 3810-3818 ◽

Cited By ~ 18

Author(s):

Bagrat A. Shainyan ◽

Svetlana V. Kirpichenko ◽

Erich Kleinpeter ◽

Sergey A. Shlykov ◽

Dmitriy Yu. Osadchiy

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Low Temperature ◽

Conformational Analysis ◽

Gas Phase ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Gas Phase Electron Diffraction

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XRD studies, vibrational spectra, and molecular structure of 1H-imidazo [4,5-b]pyridine based on DFT quantum chemical calculations

Journal of Raman Spectroscopy ◽

10.1002/jrs.2552 ◽

2009 ◽

Vol 41 (9) ◽

pp. 1021-1029 ◽

Cited By ~ 15

Author(s):

L. Dymińska ◽

A. Ga̧gor ◽

M. Ma̧czka ◽

Z. Wȩgliński ◽

J. Hanuza

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Vibrational Spectra ◽

Quantum Chemical ◽

Xrd Studies

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Molecular structure and vibrational spectra of 1,3-bis(4-piperidyl)propane by quantum chemical calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2008.02.019 ◽

2008 ◽

Vol 889 (1-3) ◽

pp. 361-370 ◽

Cited By ~ 11

Author(s):

Yusuf Erdoğdu ◽

M. Tahir Güllüoğlu ◽

Şenay Yurdakul

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Vibrational Spectra ◽

Quantum Chemical

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Molecular structure and vibrational spectra of 1,3-bis(4-pyridyl)propane by quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.01.012 ◽

2008 ◽

Vol 71 (2) ◽

pp. 377-387 ◽

Cited By ~ 4

Author(s):

Yusuf Erdoğdu ◽

M. Tahir Güllüoğlu ◽

Mustafa Kurt

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Vibrational Spectra ◽

Quantum Chemical

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Investigation of the molecular structure of radical cation of s-trioxane: quantum chemical calculations and low-temperature EPR results

Radiation Physics and Chemistry ◽

10.1016/s0969-806x(03)00044-6 ◽

2003 ◽

Vol 67 (3-4) ◽

pp. 237-241 ◽

Cited By ~ 7

Author(s):

I. Janovský ◽

S. Naumov ◽

W. Knolle ◽

R. Mehnert

Keyword(s):

Molecular Structure ◽

Low Temperature ◽

Quantum Chemical Calculations ◽

Radical Cation ◽

Quantum Chemical

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Molecular structure and vibrational spectra of 3 (or 4 or 6)‐methyl‐5‐nitro‐2‐pyridinethiones: FT‐IR, FT‐Raman and DFT quantum chemical calculations

Journal of Raman Spectroscopy ◽

10.1002/jrs.1922 ◽

2008 ◽

Vol 39 (7) ◽

pp. 832-841 ◽

Cited By ~ 5

Author(s):

M. Wandas ◽

J. Lorenc ◽

E. Kucharska ◽

M. Ma̧czka ◽

J. Hanuza

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Vibrational Spectra ◽

Quantum Chemical ◽

Ft Ir ◽

Ft Raman

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Vibrational spectra, X-ray and molecular structure of 1H- and 3H-imidazo[4,5-b]pyridine and their methyl derivatives: DFT quantum chemical calculations

Journal of Raman Spectroscopy ◽

10.1002/jrs.1758 ◽

2008 ◽

Vol 39 (1) ◽

pp. 1-15 ◽

Cited By ~ 14

Author(s):

J. Lorenc ◽

L. Dymińska ◽

Z. Talik ◽

J. Hanuza ◽

M. Mączka ◽

...

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Vibrational Spectra ◽

Quantum Chemical ◽

X Ray ◽

Methyl Derivatives

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MOLECULAR STRUCTURE AND QUANTUM CHEMICAL CALCULATIONS 4-ETHYL-5-(2-HYDROXYPHENYL)-1,2,4-TRIAZOL-3-THIONE

SERIES CHEMISTRY AND TECHNOLOGY ◽

10.32014/2019.2518-1491.69 ◽

2019 ◽

Vol 6 (438) ◽

pp. 21-29

Author(s):

Zh.B. Satpaeva ◽

◽

O.A. Nurkenov ◽

K.M. Turdybekov ◽

L.K. Abulyaissova ◽

...

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Quantum Chemical

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