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

Acceptor Complex ◽

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 ◽

Ligand Charge Transfer

A Gas- and Condensed-Phase Density Functional Study of Donor−Acceptor Complexes of Sulfur Trioxide

The Journal of Physical Chemistry A ◽

10.1021/jp0545905 ◽

2006 ◽

Vol 110 (17) ◽

pp. 5831-5838 ◽

Cited By ~ 7

Author(s):

Brian N. Ida ◽

Peter S. Fudacz ◽

Douglas H. Pulsifer ◽

Jean M. Standard

Keyword(s):

Condensed Phase ◽

Sulfur Trioxide ◽

Density Functional ◽

Functional Study ◽

Phase Density ◽

Molecular and electronic structure of 1,2-disilacyclobutabenzenes. Ab initio molecular orbital and density functional study

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(96)06438-8 ◽

1996 ◽

Vol 524 (1-2) ◽

pp. 107-114 ◽

Cited By ~ 7

Author(s):

M. Eckert-Maksic´ ◽

Z. Glasovac ◽

M. Hodosˇcˇek ◽

A. Lesar ◽

Z.B. Maksic´

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Molecular Orbital ◽

Density Functional ◽

Functional Study ◽

Molecular And Electronic Structure

Density functional study of the optoelectronic and photovoltaic properties of cyclopentadithiophene-benzothiadiazole donor-acceptor copolymer: Effect of structural modification

10.1063/5.0001668 ◽

2020 ◽

Author(s):

Labanya Bhattacharya ◽

Sridhar Sahu

Keyword(s):

Density Functional ◽

Structural Modification ◽

Functional Study ◽

Photovoltaic Properties ◽

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 ◽

Oxygen Sorption

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

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

Ab initio molecular orbital and photoelectron spectroscopic study of the pyridine–boron trifluoride electron-donor–acceptor complex

10.1039/f29888400409 ◽

1988 ◽

Vol 84 (4) ◽

pp. 409-415 ◽

Cited By ~ 10

Author(s):

Ian H. Hillier ◽

Mark A. Vincent ◽

Joseph A. Connor ◽

Martyn F. Guest ◽

Alastair A. MacDowell ◽

...

Keyword(s):

Spectroscopic Study ◽

Ab Initio ◽

Molecular Orbital ◽

Electron Donor ◽

Boron Trifluoride ◽

Acceptor Complex ◽

Density functional study on the effect of substituent group for the monomer of donor-acceptor copolymer

Journal of Polymer Science Part B Polymer Physics ◽

10.1002/polb.22090 ◽

2010 ◽

Vol 48 (20) ◽

pp. 2099-2107 ◽

Cited By ~ 14

Author(s):

Lei Sun ◽

Fu-Quan Bai ◽

Zeng-Xia Zhao ◽

Bao-Zhu Yang ◽

Hong-Xing Zhang

Keyword(s):

Density Functional ◽

Functional Study ◽

Substituent Group ◽

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

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 ◽

Excited Charge Transfer State ◽

Transfer State