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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
)
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
)
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
)
Experimental and DFT Studies for Substituent Effects on Cycloadditions of C,N-Disubstituted Nitrones to Cinnamoyl Piperidine
Mandal, S
;
Maiti, K K
;
Avijit, B
;
Prange, T
;
Neuman, A
;
Nivedita, A
(
CSIR-NISCAIR
,
2018-01
)
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Author
Suresh, C H (5)
Ajitha, M J (2)
Avijit, B (1)
Fareed Bhasha Sayyed Meerasaheb (1)
Jayalekshmy, A (1)
Maiti, K K (1)
Mandal, S (1)
Neetha Mohan (1)
Neuman, A (1)
Nivedita, A (1)
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Subject
Density functional theory (7)
Ab initio methods (1)
AB-initio (1)
Absolute binding energies (1)
Activation energy (1)
Amino acids (1)
Antioxidants (1)
Aromatic rings (1)
Aromatic-aldehydes (1)
Biological recognition (1)
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Date Issued
2012 (3)
2011 (2)
2014 (1)
2018 (1)
Has File(s)
Yes (7)