Charge-Transfer Complexes between the Amines (CH3)nNH3-n(n= 0−3) and the ClF Molecule:  An ab Initio and Density Functional Study on the Intermolecular Interaction

Alfred Karpfen

doi:10.1021/jp003814a

Charge-Transfer Complexes between the Amines (CH3)nNH3-n(n= 0−3) and the ClF Molecule: An ab Initio and Density Functional Study on the Intermolecular Interaction

The Journal of Physical Chemistry A ◽

10.1021/jp003814a ◽

2001 ◽

Vol 105 (10) ◽

pp. 2064-2072 ◽

Cited By ~ 17

Author(s):

Alfred Karpfen

Keyword(s):

Charge Transfer ◽

Ab Initio ◽

Intermolecular Interaction ◽

Density Functional ◽

Functional Study ◽

Charge Transfer Complexes ◽

Density Functional Study

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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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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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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 ◽

Density Functional Study ◽

Molecular And Electronic Structure

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Ab-initio density functional study of defect-free and defective CdO

physica status solidi (c) ◽

10.1002/pssc.200461816 ◽

2005 ◽

Vol 2 (10) ◽

pp. 3548-3551 ◽

Cited By ~ 3

Author(s):

R. Ferro ◽

J. A. Rodríguez ◽

M. Verstraete ◽

V. Solomko ◽

P. Bertrand

Keyword(s):

Ab Initio ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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29Si NMR Chemical Shifts of Siloxanes: Ab Initio and Density Functional Study

Organosilicon Chemistry Set ◽

10.1002/9783527620777.ch56d ◽

2008 ◽

pp. 334-338

Author(s):

Georgios Tsantes ◽

Norbert Auner ◽

Thomas Mller

Keyword(s):

Ab Initio ◽

Density Functional ◽

Chemical Shifts ◽

Functional Study ◽

29Si Nmr ◽

Density Functional Study ◽

Nmr Chemical Shifts

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Equilibrium structure of the carbon dioxide-water complex in the gas phase: an ab initio and density functional study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04770-7 ◽

1997 ◽

Vol 390 (1-3) ◽

pp. 157-167 ◽

Cited By ~ 17

Author(s):

Martina Kieninger ◽

Oscar N. Ventura

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Gas Phase ◽

Density Functional ◽

Equilibrium Structure ◽

Functional Study ◽

Density Functional Study ◽

Water Complex

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Microscopic structure and bonding at the Pd/SrTiO3 (001) Interface an ab-initio local-density-functional study

Integrated Ferroelectrics ◽

10.1080/10584580108215697 ◽

2001 ◽

Vol 32 (1-4) ◽

pp. 267-278 ◽

Cited By ~ 35

Author(s):

Thorsten Ochs ◽

Sibylle Köstlmeier ◽

Christian Elsässer

Keyword(s):

Ab Initio ◽

Density Functional ◽

Local Density ◽

Functional Study ◽

Microscopic Structure ◽

Density Functional Study ◽

Local Density Functional ◽

Structure And Bonding

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Comment on “High-Level ab Initio and Density Functional Study of the CH + NO Reaction Product Branching”

The Journal of Physical Chemistry A ◽

10.1021/jp991701p ◽

2000 ◽

Vol 104 (6) ◽

pp. 1362-1362

Author(s):

Allan L. L. East ◽

W. D. Allen

Keyword(s):

Ab Initio ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

High Level ◽

Product Branching

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ChemInform Abstract: An ab initio and Density Functional Study of Al3As, Al3As-, AlAs3, and AlAs3-.

ChemInform ◽

10.1002/chin.200245002 ◽

2010 ◽

Vol 33 (45) ◽

pp. no-no

Author(s):

Edet F. Archibong ◽

Alain St-Amant

Keyword(s):

Ab Initio ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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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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