Information Technology Reference
In-Depth Information
85. Ghosh,
D. C.;
and Islam,
N.; Charge transfer associated with the physical process of
hardness equalization and the chemical event of the molecule formation and the dipole
moments.
Int. J. Quantum Chem.
2011
,
111,
2811-2819.
86
.
Islam,
N.; and Ghosh,
D. C.;
A new algorithm for the evaluation of equilibrium in-
ter nuclear bond distance of heteronuclear diatomic molecules based on the hardness
equalization principle.
Eur. Phys. J D
.
2011
,
61,
341-348.
87. Islam,
N.; and Ghosh, D. C.;
A new radial dependent electrostatic algorithm for the
evaluation of the electrophilicity indices of the atoms.
Int. J. Quantum Chem.
2011
,
111,
3556-3564.
88. Islam,
N.; and Ghosh,
D. C.; A new algorithm for the evaluation of the global hardness
of polyatomic molecules.
Mol. Phys
.
2011
,
109,
917-931.
89. Parr, R. G.; Donnelly, R. A.; Levy, M.; and Palke, W. E.; Electronegatigity: the density
functional view point
. J. Chem. Phys.
1978
,
68,
3801-3807.
90. Parr, R. G.; and Pearson, R. G.; Absolute hardness: companion parameter to absolute
electronegativity.
J. Am. Chem. Soc
.
1983
,
105,
7512-7516.
91. Parr, R. G.; and Yang, W.; Density functional theory of atoms and molecules. New
York: Oxford University Press;
1989
.
92. Parr, R. G.; Szentpaly, L. V.; and Liu, S.; Electrophilicity index
.
J. Am. Chem. Soc.
1999
,
121,
1922-1924.
93. Hunter, E. P. L.; and Lias, S. G.; Evaluated gas phase basicities and proton affinities of
molecules: an update
. J. Phys. Chem. Ref. Data,
1998
,
27,
413-656.
94. National Institute of Standards and Technology. http://webbook.nist.gov/chemistry/
pa-ser.html.
95. Wróblewski, T.; Ziemczonek, L.; Alhasan, A. M.; Karwasz, G. P.; www.fizyka.umk.
pl/~karwasz/.../2007_Ab_initio_and_density_functional.pdf.
96. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; and Mallard,
W. G.; Gas phase ion and nutral thermochemistry
. J. Phys. Chem. Ref. Data.
1988
,
17,
1-861.
97. Nantasenamat, C.; Isarankura-Na-Ayudhya, C.; Naenna, T.; and Prachayasittikul, V.;
A practical overview of quantitative structure -activity relationship.
EXCLI J
.
2009
,
8,
74-88.
Search WWH ::
Custom Search