Ab initio molecular orbital calculations on DNA radical ions. 4. Effect of hydration on electron affinities and ionization potentials of base pairs

The Journal of Physical Chemistry ◽

10.1021/j100153a067 ◽

1993 ◽

Vol 97 (51) ◽

pp. 13852-13859 ◽

Author(s):

Anny Odile Colson ◽

Brent Besler ◽

Michael D. Sevilla

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Ionization Potentials ◽

Molecular Orbital Calculations ◽

Electron Affinities ◽

Radical Ions ◽

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Ab Initio Molecular Orbital Calculations of DNA Radical Ions. 5. Scaling of Calculated Electron Affinities and Ionization Potentials to Experimental Values

The Journal of Physical Chemistry ◽

10.1021/j100003a032 ◽

1995 ◽

Vol 99 (3) ◽

pp. 1060-1063 ◽

Author(s):

Michael D. Sevilla ◽

Brent Besler ◽

Anny-Odile Colson

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Ionization Potentials ◽

Molecular Orbital Calculations ◽

Electron Affinities ◽

Radical Ions ◽

Experimental Values

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Ab initio molecular orbital calculations on DNA base pair radical ions: effect of base pairing on proton-transfer energies, electron affinities, and ionization potentials

The Journal of Physical Chemistry ◽

10.1021/j100203a039 ◽

1992 ◽

Vol 96 (24) ◽

pp. 9787-9794 ◽

Author(s):

Anny Odile Colson ◽

Brent Besler ◽

Michael D. Sevilla

Keyword(s):

Proton Transfer ◽

Ab Initio ◽

Molecular Orbital ◽

Base Pair ◽

Molecular Orbital Calculations ◽

Electron Affinities ◽

Radical Ions ◽

Base Pairing ◽

Dna Base ◽

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ChemInform Abstract: Ab initio Molecular Orbital Calculations on DNA Base Pair Radical Ions: Effect of Base Pairing on Proton-Transfer Energies, Electron Affinities, and Ionization Potentials

10.1002/chin.199311077 ◽

2010 ◽

Vol 24 (11) ◽

pp. no-no

Author(s):

A.-O. COLSON ◽

B. BESLER ◽

M. D. SEVILLA

Keyword(s):

Proton Transfer ◽

Ab Initio ◽

Molecular Orbital ◽

Base Pair ◽

Molecular Orbital Calculations ◽

Electron Affinities ◽

Radical Ions ◽

Base Pairing ◽

Dna Base ◽

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Ab Initio Molecular Orbital Calculations of Radicals Formed by H.bul. and .bul.OH Addition to the DNA Bases: Electron Affinities and Ionization Potentials

The Journal of Physical Chemistry ◽

10.1021/j100034a051 ◽

1995 ◽

Vol 99 (34) ◽

pp. 13033-13037 ◽

Author(s):

Anny-Odile Colson ◽

Michael D. Sevilla

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Ionization Potentials ◽

Dna Bases ◽

Molecular Orbital Calculations ◽

Electron Affinities

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Ab initio molecular orbital calculations on DNA radical ions. 3. Ionization potentials and ionization sites in components of the DNA sugar phosphate backbone

The Journal of Physical Chemistry ◽

10.1021/j100132a045 ◽

1993 ◽

Vol 97 (30) ◽

pp. 8092-8097 ◽

Author(s):

Anny Odile Colson ◽

Brent Besler ◽

Michael D. Sevilla

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Ionization Potentials ◽

Molecular Orbital Calculations ◽

Radical Ions ◽

Sugar Phosphate ◽

Phosphate Backbone

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Effect of BrU on the transition between wobble Gua-Thy and tautomeric Gua-Thy base-pairs: ab initio molecular orbital calculations

Journal of Physics Conference Series ◽

10.1088/1742-6596/433/1/012035 ◽

2013 ◽

Vol 433 ◽

pp. 012035

Author(s):

Kazuya Nomura ◽

Ryota Hoshino ◽

Yasuhiro Hoshiba ◽

Victor I Danilov ◽

Noriyuki Kurita

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

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ChemInform Abstract: Ab initio Molecular Orbital Calculations of DNA Bases and Their Radical Ions in Various Protonation States: Evidence for Proton Transfer in GC Base Pair Radical Anions.

10.1002/chin.199222041 ◽

2010 ◽

Vol 23 (22) ◽

pp. no-no

Author(s):

A.-O. COLSON ◽

B. BESLER ◽

D. M. CLOSE ◽

M. D. SEVILLA

Keyword(s):

Proton Transfer ◽

Ab Initio ◽

Molecular Orbital ◽

Base Pair ◽

Dna Bases ◽

Molecular Orbital Calculations ◽

Radical Anions ◽

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Ab initio molecular orbital calculations on isolated vibrational frequencies in AMe3 radicals and radical ions ( A = B-, C, N+, Al-, Si, P+)

The Journal of Physical Chemistry ◽

10.1021/j100401a017 ◽

1986 ◽

Vol 90 (10) ◽

pp. 2057-2060 ◽

Author(s):

Ian Carmichael

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Vibrational Frequencies ◽

Molecular Orbital Calculations ◽

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Ab Initio Molecular Orbital Study of Substituent Effects in Vaska Type Complexes (trans-IrL2(CO)X): Electron Affinities, Ionization Potentials, Carbonyl Stretch Frequencies and the Thermodynamics of H2 Dissociative Addition

Inorganic Chemistry ◽

10.1021/ic00100a043 ◽

1994 ◽

Vol 33 (22) ◽

pp. 5122-5130 ◽

Author(s):

Faraj Abu-Hasanayn ◽

Alan S. Goldman ◽

Karsten Krogh-Jespersen

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Substituent Effects ◽

Ionization Potentials ◽

Electron Affinities ◽

Molecular Orbital Study ◽

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Ab initio molecular orbital calculations on the tert-butyl radical, its isoelectronic neighboring radical ions and their third-row congeners

The Journal of Physical Chemistry ◽

10.1021/j100268a016 ◽

1985 ◽

Vol 89 (22) ◽

pp. 4727-4732 ◽

Author(s):

Ian Carmichael

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Radical Ions ◽

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