Density Functional Study of Oxygen Sorption in Cyanocobaltate Complexes:  Reversibility and Charge Transfer

Hansong Cheng; Ronald M. Pearlstein; Dorai Ramprasad

doi:10.1021/jp961883c

Density Functional Study of Oxygen Sorption in Cyanocobaltate Complexes: Reversibility and Charge Transfer

The Journal of Physical Chemistry ◽

10.1021/jp961883c ◽

1996 ◽

Vol 100 (44) ◽

pp. 17613-17620 ◽

Cited By ~ 1

Author(s):

Hansong Cheng ◽

Ronald M. Pearlstein ◽

Dorai Ramprasad

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Oxygen Sorption

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Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

ACS Omega ◽

10.1021/acsomega.0c01199 ◽

2020 ◽

Author(s):

Salmahaminati ◽

Minori Abe ◽

Indra Purnama ◽

Jacob Yan Mulyana ◽

Masahiko Hada

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ligand Charge Transfer

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A density functional study on the formation of charge transfer complexes between alkaloids and iodine monochloride

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.07.026 ◽

2004 ◽

Vol 686 (1-3) ◽

pp. 25-30 ◽

Cited By ~ 6

Author(s):

Ling-Tian Tang ◽

Yu Wei ◽

Yi Wang ◽

Shao-Wen Hu ◽

Xin-Qi Liu ◽

...

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Charge Transfer Complexes ◽

Iodine Monochloride ◽

Density Functional Study

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Molecular Orbital and Density Functional Study of the Formation, Charge Transfer, Bonding and the Conformational Isomerism of the Boron Trifluoride (BF3) and Ammonia (NH3) Donor-Acceptor Complex

International Journal of Molecular Sciences ◽

10.3390/i5050239 ◽

2004 ◽

Vol 5 (8) ◽

pp. 239-264 ◽

Cited By ~ 10

Author(s):

Dulal Ghosh ◽

Soma Bhattacharyya

Keyword(s):

Charge Transfer ◽

Molecular Orbital ◽

Boron Trifluoride ◽

Density Functional ◽

Functional Study ◽

Conformational Isomerism ◽

Density Functional Study ◽

Acceptor Complex ◽

Donor Acceptor

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Density functional study on the structural conformations and intramolecular charge transfer from the vibrational spectra of the anticancer drug combretastatin-A2

Journal of Raman Spectroscopy ◽

10.1002/jrs.2145 ◽

2009 ◽

Vol 40 (4) ◽

pp. 419-428 ◽

Cited By ~ 178

Author(s):

L. Padmaja ◽

C. Ravikumar ◽

D. Sajan ◽

I. Hubert Joe ◽

V. S. Jayakumar ◽

...

Keyword(s):

Charge Transfer ◽

Anticancer Drug ◽

Vibrational Spectra ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of Excited Charge Transfer State Formation in 4-(N,N-Dimethylamino)benzonitrile

The Journal of Physical Chemistry A ◽

10.1021/jp9800867 ◽

1998 ◽

Vol 102 (31) ◽

pp. 6297-6306 ◽

Cited By ~ 56

Author(s):

Andreas B. J. Parusel ◽

Gottfried Köhler ◽

Stefan Grimme

Keyword(s):

Charge Transfer ◽

State Formation ◽

Density Functional ◽

Charge Transfer State ◽

Functional Study ◽

Density Functional Study ◽

Excited Charge Transfer State ◽

Transfer State

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Geometrical distortions and charge transfer in munchnöne regio-selectivity: A conceptual density functional study

International Journal of Quantum Chemistry ◽

10.1002/qua.25444 ◽

2017 ◽

Vol 117 (24) ◽

pp. e25444 ◽

Cited By ~ 3

Author(s):

Marco Martínez González ◽

David Hernández-Castillo ◽

Luis A. Montero-Cabrera ◽

Ramón Alain Miranda-Quintana

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Metal-to-Ligand Charge Transfer (MLCT) Photochemistry offac-Mn(Cl)(CO)3(H-DAB): A Density Functional Study

The Journal of Physical Chemistry ◽

10.1021/jp9604251 ◽

1996 ◽

Vol 100 (38) ◽

pp. 15346-15357 ◽

Cited By ~ 23

Author(s):

Angela Rosa ◽

Giampaolo Ricciardi ◽

Evert Jan Baerends ◽

Derk J. Stufkens

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ligand Charge Transfer

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Charge transfer mechanism in Cu-doped silicon clusters: a density functional study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00551-0 ◽

2000 ◽

Vol 529 (1-3) ◽

pp. 241-257 ◽

Cited By ~ 38

Author(s):

C Xiao ◽

F Hagelberg

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Transfer Mechanism ◽

Functional Study ◽

Silicon Clusters ◽

Density Functional Study ◽

Charge Transfer Mechanism ◽

Doped Silicon

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Structural conformations and density functional study on the intramolecular charge transfer based on vibrational spectra of 2,4-dihydroxy-N′-(4-methoxybenzylidene)benzohydrazide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.01.067 ◽

2013 ◽

Vol 110 ◽

pp. 157-168 ◽

Cited By ~ 4

Author(s):

D.M. Suresh ◽

D. Sajan ◽

Yun-Peng Diao ◽

Ivan Němec ◽

I. Hubert Joe ◽

...

Keyword(s):

Charge Transfer ◽

Vibrational Spectra ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Functional Study ◽

Density Functional Study

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UV–Vis spectroscopy and density functional study of solvent effect on the charge transfer band of the n → σ* complexes of 2-Methylpyridine and 2-Chloropyridine with molecular iodine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.11.040 ◽

2017 ◽

Vol 1131 ◽

pp. 114-123 ◽

Cited By ~ 6

Author(s):

Pallavi Gogoi ◽

Uttam Mohan ◽

Manash Protim Borpuzari ◽

Abhijit Boruah ◽

Surjya Kumar Baruah

Keyword(s):

Charge Transfer ◽

Solvent Effect ◽

Density Functional ◽

Charge Transfer Band ◽

Molecular Iodine ◽

Functional Study ◽

Density Functional Study ◽

Vis Spectroscopy

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