Quantum chemical studies of azoles 6. The effect of specific solvation on the calculated thermodynamic parameters of electrophilic substitution in tetrazole according to the elimination—addition scheme without preliminary formation of N-protonated azolium salts

N. D. Chuvylkin; A. N. Subbotin; L. I. Belen´kii

doi:10.1007/s11172-016-1395-y

Quantum chemical studies of azoles 6. The effect of specific solvation on the calculated thermodynamic parameters of electrophilic substitution in tetrazole according to the elimination—addition scheme without preliminary formation of N-protonated azolium salts

Russian Chemical Bulletin ◽

10.1007/s11172-016-1395-y ◽

2016 ◽

Vol 65 (4) ◽

pp. 939-943 ◽

Cited By ~ 9

Author(s):

N. D. Chuvylkin ◽

A. N. Subbotin ◽

L. I. Belen´kii

Keyword(s):

Thermodynamic Parameters ◽

Quantum Chemical ◽

Electrophilic Substitution ◽

Specific Solvation ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Azolium Salts

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Quantum chemical studies of azoles 5. Electrophilic substitution in tetrazole and 1, 2, 4-triazole: the influence of basis set on calculated thermodynamic parameters of the elimination—addition mechanism without preliminary formation of N-protonated azolium salts

Russian Chemical Bulletin ◽

10.1007/s11172-015-1198-6 ◽

2015 ◽

Vol 64 (11) ◽

pp. 2610-2614 ◽

Cited By ~ 12

Author(s):

L. I. Belen’kii ◽

A. N. Subbotin ◽

N. D. Chuvylkin

Keyword(s):

Thermodynamic Parameters ◽

Quantum Chemical ◽

Electrophilic Substitution ◽

Basis Set ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Azolium Salts

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Quantum chemical studies of azoles 8. Effect of N(2)-methyl substituent on the calculated thermodynamic parameters of electrophilic substitution in tetrazole according to the elimination–addition scheme without preceding formation of N-protonated azolium salts

Russian Chemical Bulletin ◽

10.1007/s11172-016-1501-1 ◽

2016 ◽

Vol 65 (7) ◽

pp. 1722-1726 ◽

Cited By ~ 7

Author(s):

L. I. Belen’kii ◽

A. N. Subbotin ◽

N. D. Chuvylkin

Keyword(s):

Thermodynamic Parameters ◽

Quantum Chemical ◽

Electrophilic Substitution ◽

Methyl Substituent ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Azolium Salts

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Quantum chemical studies of azoles 7. N-alkyl substituent effect on calculated thermodynamic parameters of the electrophilic substitution mechanism in 1H-tetrazole via elimination–addition scheme without preceding formation of N-protonated azolium salts

Russian Chemical Bulletin ◽

10.1007/s11172-016-1500-2 ◽

2016 ◽

Vol 65 (7) ◽

pp. 1716-1721 ◽

Cited By ~ 7

Author(s):

N. D. Chuvylkin ◽

A. N. Subbotin ◽

L. I. Belen’kii

Keyword(s):

Thermodynamic Parameters ◽

Quantum Chemical ◽

Substituent Effect ◽

Electrophilic Substitution ◽

Alkyl Substituent ◽

Substitution Mechanism ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Azolium Salts

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Quantum chemical studies of azoles 10. Transition states in the routes of electrophilic substitution in 1H-tetrazole via the elimination—addition mechanism without preliminary formation of N-protonated azolium salts

Russian Chemical Bulletin ◽

10.1007/s11172-017-1811-y ◽

2017 ◽

Vol 66 (5) ◽

pp. 808-812 ◽

Cited By ~ 1

Author(s):

N. D. Chuvylkin ◽

A. N. Subbotin ◽

L. I. Belen´kii

Keyword(s):

Quantum Chemical ◽

Electrophilic Substitution ◽

Transition States ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Azolium Salts

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Quantum chemical studies of azoles 13. Specific solvation effect on the calculated energetic parameters of the electrophilic substitution mechanism in thiazole via elimination–addition schemes

Russian Chemical Bulletin ◽

10.1007/s11172-018-2316-z ◽

2018 ◽

Vol 67 (11) ◽

pp. 1971-1977

Author(s):

L. I. Belen’kii ◽

I. D. Nesterov ◽

N. D. Chuvylkin

Keyword(s):

Quantum Chemical ◽

Electrophilic Substitution ◽

Solvation Effect ◽

Specific Solvation ◽

Substitution Mechanism ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum chemical studies of azoles 3. Thermodynamic stabilities of neutral molecules and intermediates formed in electrophilic substitution of azoles containing three or four heteroatoms

Russian Chemical Bulletin ◽

10.1007/s11172-015-0972-9 ◽

2015 ◽

Vol 64 (5) ◽

pp. 1032-1038 ◽

Cited By ~ 9

Author(s):

L. I. Belen´kii ◽

M. Kh. Mamarakhmonov ◽

A. N. Subbotin ◽

N. D. Chuvylkin

Keyword(s):

Quantum Chemical ◽

Electrophilic Substitution ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum chemical studies of azoles 2. Thermodynamic stability of neutral molecules and intermediates formed during electrophilic substitution of 1,2- and 1,3-azoles

Russian Chemical Bulletin ◽

10.1007/s11172-014-0728-y ◽

2014 ◽

Vol 63 (10) ◽

pp. 2236-2242 ◽

Cited By ~ 6

Author(s):

L. I. Belen´kii ◽

I. D. Nesterov ◽

N. D. Chuvylkin

Keyword(s):

Thermodynamic Stability ◽

Quantum Chemical ◽

Electrophilic Substitution ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum chemical studies of azoles 9. Tetrazole halogenation according to the elimination—addition scheme without preliminary formation of N-protonated azolium salts

Russian Chemical Bulletin ◽

10.1007/s11172-016-1621-7 ◽

2016 ◽

Vol 65 (11) ◽

pp. 2578-2582 ◽

Cited By ~ 3

Author(s):

L. I. Belen’kii ◽

A. N. Subbotin ◽

N. D. Chuvylkin

Keyword(s):

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Azolium Salts

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Quantum chemical studies of azoles 4. A novel elimination–addition mechanism of tetrazole and 1,2,4-triazole electrophilic substitution

Russian Chemical Bulletin ◽

10.1007/s11172-015-1116-y ◽

2015 ◽

Vol 64 (9) ◽

pp. 2050-2054 ◽

Cited By ~ 11

Author(s):

L. I. Belen’kii ◽

A. N. Subbotin ◽

N. D. Chuvylkin

Keyword(s):

Quantum Chemical ◽

Electrophilic Substitution ◽

Chemical Studies ◽

Quantum Chemical Studies

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Vibrational (FT-IR and FT-Raman) spectra and quantum chemical studies on the molecular orbital calculations, chemical reactivity and thermodynamic parameters of 2-chloro-5-(trifluoromethyl) aniline

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.01.034 ◽

2013 ◽

Vol 107 ◽

pp. 72-81 ◽

Cited By ~ 14

Author(s):

T. Karthick ◽

V. Balachandran ◽

S. Perumal ◽

A. Nataraj

Keyword(s):

Thermodynamic Parameters ◽

Molecular Orbital ◽

Raman Spectra ◽

Quantum Chemical ◽

Chemical Reactivity ◽

Molecular Orbital Calculations ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Ft Raman

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