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Which density functional is close to CCSD accuracy to describe Geometry and Interaction Energy of small noncovalent dimers? A benchmark study using Gaussian09
Remya, K
;
Suresh, C H
(
Wiley
,
2013
)
Molecular electrostatics for probing lone pair–pi interactions†
Neetha Mohan
;
Suresh, C H
;
Anmol Kumar
;
Gadre, S R
(
Royal Society of Chemistry
,
2013
)
Role of stereoelectronic features of Imine and Enamine in (S)-proline catalyzed Mannich reaction of Acetaldehyde: An in silico study
Ajitha, M J
;
Suresh, C H
(
Wiley
,
2011
)
Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT
Yesudas, J P
;
Sayyed, F B
;
Suresh, C H
(
Springer
,
2011
)
Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine
Suresh, C H
;
Neetha Mohan
;
Vijayalakshmi, K P
;
George, R
;
Janice M Mathew
(
Wiley
,
2009
)
Substituent Effects in Cation-pi Interactions: A Unified View from Inductive, Resonance, and Through-Space Effects
Sayyed, F B
;
Suresh, C H
(
American Chemical Society
,
2011
)
Quantification of substituent effects using molecular electrostatic potentials: Additive nature and proximity effects
Sayyed, F B
;
Suresh, C H
(
Royal Society of Chemistry
,
2009
)
5, 5-Diaryldipyrromethanes: syntheses and anion binding properties
Gowri Sreedevi, K C
;
Ajesh P Thomas
;
Salini, P S
;
Ramakrishnan, S
;
Anju, K S
;
Holaday, M G D
;
Reddy, M L P
;
Suresh, C H
;
Srinivasan, A
(
Elsevier
,
2011
)
Resonance enhancement via imidazole substitution predicts new cation receptors
Suresh, C H
;
Sayyed, F B
(
American Chemical Society
,
2013
)
Novel semisquaraine regioisomers: isolation, divergent chemical reactivity and photophysical properties
Rekha, R A
;
Jyothish, K
;
Suresh, C H
;
Ramaiah, D
(
Royal Society of Chemistry
,
2011
)
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Suresh, C H (144)
Sayyed, F B (10)
Gadre, S R (9)
Neetha Mohan (9)
Vijayalakshmi, K P (9)
Ajitha, M J (7)
Sandhya, K S (7)
Chandrashekar, T K (6)
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Sajith, P K (6)
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Density functional theory (9)
Phosphine-ligands (7)
Effective core potentials (5)
Molecular calculations (5)
Molecular electrostatic potential (5)
Benzenes (4)
Organometallic chemistry (4)
Phosphorus ligands (4)
Substituent constants (4)
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2020 - 2022 (8)
2010 - 2019 (93)
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