Quantum Chemical Analysis ofpara-Substitution Effects on the Electronic Structure of Phenylnitrenium Ions in the Gas Phase and Aqueous Solution

Michael B. Sullivan; Kenneth Brown; Christopher J. Cramer; Donald G. Truhlar

doi:10.1021/ja982542a

Quantum Chemical Analysis ofpara-Substitution Effects on the Electronic Structure of Phenylnitrenium Ions in the Gas Phase and Aqueous Solution

Journal of the American Chemical Society ◽

10.1021/ja982542a ◽

1998 ◽

Vol 120 (45) ◽

pp. 11778-11783 ◽

Cited By ~ 29

Author(s):

Michael B. Sullivan ◽

Kenneth Brown ◽

Christopher J. Cramer ◽

Donald G. Truhlar

Keyword(s):

Aqueous Solution ◽

Electronic Structure ◽

Chemical Analysis ◽

Gas Phase ◽

Quantum Chemical ◽

Substitution Effects ◽

Quantum Chemical Analysis

Download Full-text

ChemInform Abstract: Quantum Chemical Analysis of para-Substitution Effects on the Electronic Structure of Phenylnitrenium Ions (I) in the Gas Phase and Aqueous Solution

ChemInform ◽

10.1002/chin.199915026 ◽

2010 ◽

Vol 30 (15) ◽

pp. no-no

Author(s):

Michael B. Sullivan ◽

Kenneth Brown ◽

Christopher J. Cramer ◽

Donald G. Truhlar

Keyword(s):

Aqueous Solution ◽

Electronic Structure ◽

Chemical Analysis ◽

Gas Phase ◽

Quantum Chemical ◽

Substitution Effects ◽

Quantum Chemical Analysis

Download Full-text

Quantum Chemical Analysis ofpara-Substitution Effects on the Electronic Structure of Phenylnitrenium Ions in the Gas Phase and Aqueous Solution [J. Am. Chem. Soc.1998,120, 11778−11783].

Journal of the American Chemical Society ◽

10.1021/ja9955363 ◽

1999 ◽

Vol 121 (47) ◽

pp. 11026-11026

Author(s):

Michael B. Sullivan ◽

Kenneth Brown ◽

Christopher J. Cramer ◽

Donald G. Truhlar

Keyword(s):

Aqueous Solution ◽

Electronic Structure ◽

Chemical Analysis ◽

Gas Phase ◽

Quantum Chemical ◽

Substitution Effects ◽

Quantum Chemical Analysis

Download Full-text

Quantum chemical analysis of the energy of proton transfer from phenol and chlorophenols to H2O in the gas phase and in aqueous solution

The Journal of Chemical Physics ◽

10.1063/1.477614 ◽

1998 ◽

Vol 109 (21) ◽

pp. 9523-9528 ◽

Cited By ~ 20

Author(s):

Gerrit Schüürmann

Keyword(s):

Aqueous Solution ◽

Chemical Analysis ◽

Proton Transfer ◽

Gas Phase ◽

Quantum Chemical ◽

Quantum Chemical Analysis

Download Full-text

A quantum chemical analysis of the relationships between electronic structure, PAK1 inhibition and MEK phosphorylation in a series of 2-arylamino-4-aryl-pyrimidines.

SOP Transactions on Physical Chemistry ◽

10.15764/pche.2014.02002 ◽

2014 ◽

Vol 1 (2) ◽

pp. 10-28

Author(s):

Juan Gomez-Jeria ◽

Keyword(s):

Electronic Structure ◽

Chemical Analysis ◽

Quantum Chemical ◽

Quantum Chemical Analysis

Download Full-text

Quantum chemical analysis of ATP, GTP and related compounds in gas phase

Journal of the Iranian Chemical Society ◽

10.1007/bf03245859 ◽

2010 ◽

Vol 7 (1) ◽

pp. 51-58 ◽

Cited By ~ 7

Author(s):

A. H. Pakiari ◽

M. Farrokhnia ◽

A. Moradshahi

Keyword(s):

Chemical Analysis ◽

Gas Phase ◽

Quantum Chemical ◽

Quantum Chemical Analysis ◽

Related Compounds

Download Full-text

Quantum chemical analysis of electronic structure and bonding aspects of choline based ionic liquids

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.11.080 ◽

2018 ◽

Vol 249 ◽

pp. 637-649 ◽

Cited By ~ 9

Author(s):

Deepan Kumar Madhu ◽

Jaccob Madhavan

Keyword(s):

Electronic Structure ◽

Ionic Liquids ◽

Chemical Analysis ◽

Quantum Chemical ◽

Quantum Chemical Analysis ◽

Structure And Bonding

Download Full-text

Quantum-chemical analysis of electronic structure of hemochromes and parameters of their M�ssbauer spectra

Theoretical and Experimental Chemistry ◽

10.1007/bf01006989 ◽

1992 ◽

Vol 28 (1) ◽

pp. 26-30

Author(s):

V. I. Khleskov ◽

E. V. Kolpakov ◽

A. B. Smirnov

Keyword(s):

Electronic Structure ◽

Chemical Analysis ◽

Quantum Chemical ◽

Quantum Chemical Analysis

Download Full-text

Geometrical and electronic structure of fluoro-substituted benzene radical anions based on quantum chemical analysis of hyperfine interactions

Chemical Physics ◽

10.1016/0301-0104(83)85239-2 ◽

1983 ◽

Vol 82 (3) ◽

pp. 343-353 ◽

Cited By ~ 42

Author(s):

L.N. Shchegoleva ◽

I.I. Bilkis ◽

P.V. Schastnev

Keyword(s):

Electronic Structure ◽

Chemical Analysis ◽

Quantum Chemical ◽

Hyperfine Interactions ◽

Radical Anions ◽

Quantum Chemical Analysis

Download Full-text

Comparative quantum-chemical analysis of the electronic structure and mössbauer parameters of the active site models for deoxymyoglobin and α- and β-subunits of tetrameric deoxyhemoglobin

Biochemical and Biophysical Research Communications ◽

10.1016/s0006-291x(88)81275-0 ◽

1988 ◽

Vol 155 (3) ◽

pp. 1255-1260 ◽

Cited By ~ 16

Author(s):

V.I. Khleskov ◽

B.N. Burykin ◽

A.B. Smirnov ◽

M.I. Oshtrakh

Keyword(s):

Electronic Structure ◽

Chemical Analysis ◽

Active Site ◽

Quantum Chemical ◽

Quantum Chemical Analysis ◽

Mössbauer Parameters ◽

Α And Β Subunits

Download Full-text

Medium Effects on the Molecular Electronic Structure. III. Quantum-Chemical Analysis of Solvent-Induced13C NMR Chemical Shift Changes of Some Polyene Compounds

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.63.1335 ◽

1990 ◽

Vol 63 (5) ◽

pp. 1335-1341 ◽

Cited By ~ 8

Author(s):

Minoru Sakurai ◽

Hajime Hoshi ◽

Yoshio Inoue ◽

Riichirô Chûjô

Keyword(s):

Electronic Structure ◽

Chemical Shift ◽

Chemical Analysis ◽

Quantum Chemical ◽

Molecular Electronic ◽

Medium Effects ◽

Quantum Chemical Analysis ◽

Nmr Chemical Shift ◽

Molecular Electronic Structure

Download Full-text