Density Functional Study of the Hexamethyl-(Dewar Benzene) Radical Cation and Some Related Compounds.

Related Compounds

Time-Resolved Resonance Raman and Density Functional Study of the Radical Cation of Chlorpromazine

10.1021/jp992196z ◽

2000 ◽

Vol 104 (18) ◽

pp. 4140-4148 ◽

Cited By ~ 15

Author(s):

Duohai Pan ◽

Lian C. T. Shoute ◽

David Lee Phillips

Keyword(s):

Radical Cation ◽

Density Functional ◽

Resonance Raman ◽

Functional Study ◽

Time Resolved ◽

Ab initio and density functional study of the Jahn-Teller distortion in the silane radical cation

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01152-9 ◽

1996 ◽

Vol 262 (6) ◽

pp. 782-788 ◽

Cited By ~ 10

Author(s):

Frank De Proft ◽

Paul Geerlings

Keyword(s):

Ab Initio ◽

Radical Cation ◽

Density Functional ◽

Functional Study ◽

Teller Distortion ◽

Jahn Teller ◽

Jahn Teller Distortion

Trimethylaluminum Dimer Structure and Its Monomer Radical Cation: A Density Functional Study

10.1021/jp980148t ◽

1998 ◽

Vol 102 (40) ◽

pp. 7821-7827 ◽

Cited By ~ 12

Author(s):

Dorothée Berthomieu ◽

Yannick Bacquet ◽

Luca Pedocchi ◽

Annick Goursot

Keyword(s):

Radical Cation ◽

Density Functional ◽

Functional Study ◽

Dimer Structure

Raman and Density Functional Study of the S0State of Phenothiazine and the Radical Cation of Phenothiazine

10.1021/jp990399h ◽

1999 ◽

Vol 103 (24) ◽

pp. 4737-4743 ◽

Cited By ~ 40

Author(s):

Duohai Pan ◽

David Lee Phillips

Keyword(s):

Radical Cation ◽

Density Functional ◽

Functional Study ◽

Density functional study on the structures and vibrational spectra of the radical cation and dication of α,α′-bis(aminomethyl)quaterthiophene

Journal of Molecular Structure ◽

10.1016/s0022-2860(99)00440-8 ◽

2000 ◽

Vol 521 (1-3) ◽

pp. 249-260 ◽

Cited By ~ 5

Author(s):

V Hernández ◽

J Casado ◽

J.T López Navarrete

Keyword(s):

Radical Cation ◽

Vibrational Spectra ◽

Density Functional ◽

Functional Study ◽

Time-Resolved Resonance Raman and Density Functional Study of the Radical Cation of Promazine

10.1021/jp991342y ◽

1999 ◽

Vol 103 (34) ◽

pp. 6851-6861 ◽

Cited By ~ 15

Author(s):

Duohai Pan ◽

Lian C. T. Shoute ◽

David Lee Phillips

Keyword(s):

Radical Cation ◽

Density Functional ◽

Resonance Raman ◽

Functional Study ◽

Time Resolved ◽

Electronic structure of multiferroicBiFeO3and related compounds: Electron energy loss spectroscopy and density functional study

Physical Review B ◽

10.1103/physrevb.82.064102 ◽

2010 ◽

Vol 82 (6) ◽

Cited By ~ 45

Author(s):

Ragnhild Sæterli ◽

Sverre Magnus Selbach ◽

Ponniah Ravindran ◽

Tor Grande ◽

Randi Holmestad

Keyword(s):

Electronic Structure ◽

Energy Loss ◽

Electron Energy ◽

Electron Energy Loss Spectroscopy ◽

Density Functional ◽

Functional Study ◽

Electron Energy Loss ◽

Related Compounds

Multireference Configuration Interaction and Density Functional Study of the Azetidine Radical Cation and the Neutral Azetidin-1-yl Radical

The Journal of Physical Chemistry ◽

10.1021/j100024a013 ◽

1995 ◽

Vol 99 (24) ◽

pp. 9724-9729 ◽

Cited By ~ 9

Author(s):

M. B. Huang ◽

H. U. Suter ◽

B. Engels ◽

S. D. Peyerimhoff ◽

S. Lunell

Keyword(s):

Radical Cation ◽

Configuration Interaction ◽

Density Functional ◽

Functional Study ◽

The Quadricyclane to Norbornadiene Radical Cation Rearrangement: an Ab Initio and Density Functional Study.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.51-0646 ◽

1997 ◽

Vol 51 ◽

pp. 646-652 ◽

Cited By ~ 13

Author(s):

Timothy Clark ◽

Harald Møllendal ◽

Maria L. Durán ◽

Alfonso Castiñeiras ◽

Antonio Sousa ◽

...

Keyword(s):

Ab Initio ◽

Radical Cation ◽

Density Functional ◽

Functional Study ◽

Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽