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Accurate prediction of cation−π interaction energy using substituent effects
Sayyed, F B
;
Suresh, C H
(
American Chemical Society
,
2012-06
)
DPPH Radical scavenging activity of tricin and Its conjugates isolated from “Njavara” rice bran: A density functional theory study
Ajitha, M J
;
Smitha Mohanlal
;
Suresh, C H
;
Jayalekshmy, A
(
American Chemical Society
,
2012
)
An electrostatic scale of substituent resonance effect
Sayyed, F B
;
Suresh, C H
(
Elsevier
,
2009
)
NHC catalyzed CO2 fixation with epoxides: Probable mechanisms reveal ter molecular pathway
Ajitha, M J
;
Suresh, C H
(
Elsevier
,
2011
)
Bond dissociation energies of ligands in square planar Pd(II) and Pt(II) complexes: An assessment using trans influence
Sajith, P K
;
Suresh, C H
(
Elsevier
,
2011
)
Photophysical and theoretical investigations of oligo(p-phenyleneethynylene)s: Effect of alkoxy substitution and alkyne-aryl bond rotations
James, P V
;
Sudeep, P K
;
Suresh, C H
;
George Thomas, K
(
American Chemical Society
,
2006
)
Meso-meso linked core modified 22 pi smaragdyrins with unusual absorption properties
Misra, R
;
Kumar, R
;
Chandrashekar, T K
;
Suresh, C H
(
Royal Society Chemistry
,
2006
)
Structure absorption spectra correlation in a series of 2,6-dimethyl-4-arylpyrylium salts
Manoj, N
;
Ajayakumar, G
;
Gopidas, K R
;
Suresh, C H
(
American Chemical Society
,
2006
)
Quantification and prediction of substituent effects in aromatic molecules and cation- Complexes using molecular electrostatic potential
Fareed Bhasha Sayyed Meerasaheb
(
Chemical Sciences and Technology Division, National Institute for Interdisciplinary Science and Technology(CSIR), Thiruvananthapuram.
,
2012
)
Accurate binding energies of hydrogen, halogen, and dihydrogen bonded complexes and cation enhanced binding strengths
Neetha Mohan
;
Suresh, C H
(
Wiley-Blackwell
,
2014
)
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Author
Suresh, C H (9)
Ajitha, M J (2)
Sayyed, F B (2)
Ajayakumar, G (1)
Avijit, B (1)
Chandrashekar, T K (1)
Fareed Bhasha Sayyed Meerasaheb (1)
George Thomas, K (1)
Gopidas, K R (1)
James, P V (1)
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Subject
Density functional theory (11)
Isodesmic reactions (2)
Resonance effect (2)
2-Photon absorption (1)
2nd-Harmonic generation (1)
Ab initio methods (1)
AB-initio (1)
Absolute binding energies (1)
Activation energy (1)
Amino acids (1)
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Date Issued
2010 - 2018 (7)
2006 - 2009 (4)
Has File(s)
Yes (11)