Theoretical thermochemistry. 4. Ionization energies and proton affinities of AHn species (A = lithium to boron and sodium to aluminum): geometries and enthalpies of formation of their cations

Larry A. Curtiss; John A. Pople

doi:10.1021/j100315a007

Theoretical thermochemistry. 4. Ionization energies and proton affinities of AHn species (A = lithium to boron and sodium to aluminum): geometries and enthalpies of formation of their cations

The Journal of Physical Chemistry ◽

10.1021/j100315a007 ◽

1988 ◽

Vol 92 (4) ◽

pp. 894-899 ◽

Cited By ~ 58

Author(s):

Larry A. Curtiss ◽

John A. Pople

Keyword(s):

Enthalpies Of Formation ◽

Proton Affinities ◽

Ionization Energies

Thermochemical properties of molecules and cations of MgN n H m ( n =1,2 and m =1–6): enthalpies of formation, proton affinities and ionization energies

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00612-6 ◽

2001 ◽

Vol 540 (1-3) ◽

pp. 5-14 ◽

Cited By ~ 4

Author(s):

R.K Milburn ◽

D.K Bohme ◽

A.C Hopkinson

Keyword(s):

Enthalpies Of Formation ◽

Thermochemical Properties ◽

Proton Affinities ◽

Ionization Energies

Halogenated silanes, radicals, and cations: Theoretical predictions on ionization energies, structures and potential energy surfaces of cations, proton affinities, and enthalpies of formation

International Journal of Mass Spectrometry ◽

10.1016/j.ijms.2008.07.004 ◽

2008 ◽

Vol 276 (1) ◽

pp. 56-76 ◽

Cited By ~ 18

Author(s):

Liming Wang ◽

Yi-Liang He

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Enthalpies Of Formation ◽

Proton Affinities ◽

Ionization Energies ◽

Theoretical Predictions ◽

Energy Surfaces

Theoretical study of the silicon–oxygen hydrides SiOHn(n=0–4) and SiOH+n(n=0–5): Dissociation energies, ionization energies, enthalpies of formation, and proton affinities

The Journal of Chemical Physics ◽

10.1063/1.465837 ◽

1993 ◽

Vol 99 (9) ◽

pp. 6697-6703 ◽

Cited By ~ 39

Author(s):

David J. Lucas ◽

Larry A. Curtiss ◽

John A. Pople

Keyword(s):

Theoretical Study ◽

Enthalpies Of Formation ◽

Proton Affinities ◽

Ionization Energies ◽

Dissociation Energies ◽

Silicon Oxygen

Proton Affinities and Photoelectron Spectra of Phenylalanine and N-Methyl- and N,N-Dimethylphenylalanine. Correlation of Lone Pair Ionization Energies with Proton Affinities and Implications for N-Methylation as a Method to Effect Site Specific Protonation of Peptides

Journal of the American Chemical Society ◽

10.1021/ja00091a033 ◽

1994 ◽

Vol 116 (12) ◽

pp. 5257-5264 ◽

Cited By ~ 40

Author(s):

Sherrie Campbell ◽

Elaine M. Marzluff ◽

M. T. Rodgers ◽

J. L. Beauchamp ◽

Margaret E. Rempe ◽

...

Keyword(s):

Lone Pair ◽

Photoelectron Spectra ◽

Proton Affinities ◽

Site Specific ◽

Ionization Energies ◽

Effect Site ◽

Pair Ionization

Correlations of lone pair ionization energies with proton affinities of amino acids and related compounds. Site specificity of protonation

International Journal of Mass Spectrometry and Ion Processes ◽

10.1016/0168-1176(92)80087-h ◽

1992 ◽

Vol 117 ◽

pp. 83-99 ◽

Cited By ~ 63

Author(s):

Sherrie Campbell ◽

J.L. Beauchamp ◽

Mara Rempe ◽

D.L. Lichtenberger

Keyword(s):

Amino Acids ◽

Lone Pair ◽

Site Specificity ◽

Proton Affinities ◽

Ionization Energies ◽

Related Compounds ◽

Pair Ionization

The Substituent Effect of the Methyl Group. Carbon 1s Ionization Energies, Proton Affinities, and Reactivities of the Methylbenzenes

The Journal of Organic Chemistry ◽

10.1021/jo0708902 ◽

2007 ◽

Vol 72 (15) ◽

pp. 5715-5723 ◽

Cited By ~ 31

Author(s):

Velaug Myrseth ◽

Knut J. Børve ◽

T. Darrah Thomas

Keyword(s):

Substituent Effect ◽

Proton Affinities ◽

Ionization Energies ◽

Methyl Group ◽

Group Carbon

Ionization Energies, Proton Affinities, and pKaValues of a Large Series of Edaravone Derivatives: Implication for Their Free Radical Scavenging Activity

The Journal of Physical Chemistry B ◽

10.1021/jp2047163 ◽

2011 ◽

Vol 115 (34) ◽

pp. 10375-10384 ◽

Cited By ~ 18

Author(s):

Adriana Pérez-González ◽

Annia Galano

Keyword(s):

Free Radical ◽

Radical Scavenging Activity ◽

Radical Scavenging ◽

Free Radical Scavenging ◽

Large Series ◽

Free Radical Scavenging Activity ◽

Scavenging Activity ◽

Proton Affinities ◽

Ionization Energies

ChemInform Abstract: SUBSTITUTED N,N-DIALKYLANILINES: RELATIVE IONIZATION ENERGIES AND PROTON AFFINITIES THROUGH DETERMINATION OF ION-MOLECULE REACTION EQUILIBRIUM CONSTANTS

Chemischer Informationsdienst ◽

10.1002/chin.198525153 ◽

1985 ◽

Vol 16 (25) ◽

Author(s):

S. G. LIAS ◽

J.-A. A. JACKSON ◽

H. ARGENTAR ◽

J. F. LIEBMAN

Keyword(s):

Equilibrium Constants ◽

Proton Affinities ◽

Ionization Energies ◽

Molecule Reaction ◽

Reaction Equilibrium

Substituted N,N-dialkylanilines: relative ionization energies and proton affinities through determination of ion-molecule reaction equilibrium constants

The Journal of Organic Chemistry ◽

10.1021/jo00203a009 ◽

1985 ◽

Vol 50 (3) ◽

pp. 333-338 ◽

Cited By ~ 18

Author(s):

Sharon G. Lias ◽

Jo Anne A. Jackson ◽

Harold Argentar ◽

Joel F. Liebman

Keyword(s):

Equilibrium Constants ◽

Proton Affinities ◽

Ionization Energies ◽

Molecule Reaction ◽

Reaction Equilibrium

Special effects of an unusually large neutral to radical cation geometry change. Adiabatic ionization energies and proton affinities of alkylhydrazines

Journal of the American Chemical Society ◽

10.1021/ja00336a015 ◽

1984 ◽

Vol 106 (24) ◽

pp. 7384-7389 ◽

Cited By ~ 27

Author(s):

Michael Meot-Ner ◽

Stephen F. Nelsen ◽

Mark F. Willi ◽

Timothy B. Frigo

Keyword(s):

Radical Cation ◽

Proton Affinities ◽

Special Effects ◽

Ionization Energies