Theoretical investigation of ground and excited states of the methylene amidogene radical (H2CN)

Wolfgang Eisfeld

doi:10.1063/1.1650308

Theoretical investigation of ground and excited states of the methylene amidogene radical (H2CN)

The Journal of Chemical Physics ◽

10.1063/1.1650308 ◽

2004 ◽

Vol 120 (13) ◽

pp. 6056-6063 ◽

Cited By ~ 12

Author(s):

Wolfgang Eisfeld

Keyword(s):

Excited States ◽

Theoretical Investigation

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ChemInform Abstract: MO Theoretical Investigation of Strained PAH Molecules: Effects of Methyl Substituents in Ground and Excited States

ChemInform ◽

10.1002/chin.199249048 ◽

2010 ◽

Vol 23 (49) ◽

pp. no-no

Author(s):

S. GRIMME ◽

H.-G. LOEHMANNSROEBEN

Keyword(s):

Excited States ◽

Theoretical Investigation

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A Theoretical Investigation of the Electronic Structure of the Normal and Excited States of Copper Dimethylglyoxime and its Adducts with Water and Amines.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.21-1855 ◽

1967 ◽

Vol 21 ◽

pp. 1855-1870 ◽

Cited By ~ 25

Author(s):

B. Roos ◽

Bengt Lindberg ◽

Sigfrid Svensson ◽

T. Norin ◽

G. Eriksson ◽

...

Keyword(s):

Electronic Structure ◽

Excited States ◽

Theoretical Investigation

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Theoretical investigation of the ground and the lowest excited states of Co(SB) complexes (SB = Schiff Base)

Inorganic Chemistry ◽

10.1021/ic00010a030 ◽

1991 ◽

Vol 30 (10) ◽

pp. 2388-2393 ◽

Cited By ~ 3

Author(s):

Alessandro. Fortunelli ◽

Renato. Colle ◽

Nazzareno. Re ◽

Oriano. Salvetti

Keyword(s):

Schiff Base ◽

Excited States ◽

Theoretical Investigation

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Theoretical investigation of the excited states dynamics of the polydiacetylene backbone

Ultrafast Phenomena XII - Springer Series in Chemical Physics ◽

10.1007/978-3-642-56546-5_176 ◽

2001 ◽

pp. 598-600

Author(s):

T. Barisien ◽

M. Turki ◽

C. Daniel ◽

J.-Y. Bigot

Keyword(s):

Excited States ◽

Theoretical Investigation

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EXCITED STATES IN POLY(PARAPHENYLENEVINYLENE) AND RELATED OLIGOMERS: THEORETICAL INVESTIGATION OF THEIR RELATION TO ELECTRICAL AND OPTICAL PROPERTIES

Primary Photoexcitations in Conjugated Polymers: Molecular Exciton Versus Semiconductor Band Model ◽

10.1142/9789814447201_0019 ◽

1998 ◽

pp. 559-586 ◽

Cited By ~ 1

Author(s):

D. Beljonne ◽

J. Cornil ◽

D. A. dos Santos ◽

Z. Shuai ◽

J. L. Brédas

Keyword(s):

Optical Properties ◽

Excited States ◽

Theoretical Investigation ◽

Electrical And Optical Properties

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Theoretical investigation of the excited states dynamics of the polydiacetylene backbone.

Ultrafast Phenomena ◽

10.1364/up.2000.tuf23 ◽

2000 ◽

Author(s):

T. Barisien ◽

M. Turki ◽

C. Daniel ◽

J.-Y. Bigot

Keyword(s):

Excited States ◽

Theoretical Investigation

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An experimental and theoretical investigation into the electronically excited states of para-benzoquinone

The Journal of Chemical Physics ◽

10.1063/1.4982940 ◽

2017 ◽

Vol 146 (18) ◽

pp. 184303 ◽

Cited By ~ 11

Author(s):

D. B. Jones ◽

P. Limão-Vieira ◽

M. Mendes ◽

N. C. Jones ◽

S. V. Hoffmann ◽

...

Keyword(s):

Excited States ◽

Theoretical Investigation ◽

Electronically Excited States ◽

Electronically Excited

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A theoretical investigation of the temperature dependence of the magnetic moment at the 6 A 1 - 2 T 2 crossover of iron (III) complexes

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1967.0038 ◽

1967 ◽

Vol 296 (1447) ◽

pp. 457-468 ◽

Cited By ~ 14

Keyword(s):

Temperature Dependence ◽

Excited States ◽

Theoretical Investigation ◽

Magnetic Moment ◽

Reasonable Agreement ◽

Ligand Field ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Crossover Point ◽

Martin Ross

In this paper we derive an expression for the temperature dependence of the magnetic moment of octahedral d 5 complexes which have ligand field strengths in the neighbourhood of the 2 T 2 - 6 A 1 crossover point. The expression includes the effects of configurational mixing and of spin-orbit coupling of the low lying 4 T 1 state with the ground and first excited states. In this case the corrections are at most some 10% of the unperturbed result. Calculated results for Fe 3+ are shown to be in reasonable agreement with experimental results for the iron (III) NN -dialkyldithiocarbamates (Ewald, Martin, Ross & White 1964).

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