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Reactivity and stability of aromatic carbonyl compounds using density functional theory-based local and global reactivity descriptors
Roy, Ram Kinkar
(
Wiley
,
1999-06-15
)
On non-negativity of Fukui function indices
Roy, Ram Kinkar
(
AIP
,
1999-04-22
)
Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds
Roy, Ram Kinkar
(
ACS
,
1998
)
Site of Protonation in Aniline and Substituted Anilines in the Gas Phase: A Study via the Local Hard and Soft Acids and Bases Concept
Roy, Ram Kinkar
(
ACS
,
1998-08-12
)
The Local Hard−Soft Acid−Base Principle: A Critical Study
Roy, Ram Kinkar
(
ACS
,
1997
)
Correlation of Polarizability, Hardness, and Electronegativity: Polyatomic Molecules
Roy, Ram Kinkar
(
ACS
,
1994
)
Change of Hardness and Chemical Potential in Chemical Binding: A Quantitative Model
Roy, Ram Kinkar
(
ACS
,
1994
)
Chemical Potential and Hardness for Open Shell Radicals: Model for the Corresponding Anions
Roy, Ram Kinkar
(
ACS
,
1995
)
Hardness as a function of polarizability in a reaction profile
Roy, Ram Kinkar
(
Elsiever
,
1995-02-10
)
Stationary multideterminantal coupled-cluster response
Roy, Ram Kinkar
(
APS
,
1994-03-01
)
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Author
Roy, Ram Kinkar (12)
Subject
Chemistry (12)
Polarizability (3)
Approximation (1)
Aromatic Carbonyl compounds (1)
Carbon (1)
Carbonyls (1)
Chemical Binding (1)
Chemical binding (1)
Chemical Potential (1)
Chemical potential (1)
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Date Issued
1994 (4)
1995 (2)
1998 (2)
1999 (2)
1993 (1)
1997 (1)
Has File(s)
No (12)