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Issue Date
Title
Author(s)
2017-04-13
Quantification of Thermodynamic Hydridicity of Hydride Complexes of Mn, Re, Mo, and W Using the Molecular Electrostatic Potential
Sandhya, K S
;
Suresh, C H
2017-07-15
Theoretical Evidence for Bond Stretch Isomerism in Grubbs Olefin Metathesis
Remya, P R
;
Suresh, C H
2017-10-05
A DFT Study on 1,4-Dihydro-1,4-Azaborinine Annulated Linear Polyacenes: Absorption Spectra, Singlet-Triplet Energy Gap, Aromaticity, and HOMO–LUMO Energy Modulation
Rakhi, R
;
Suresh, C H
2017-06-19
Lower Rim-Modified Calix[4]arene–Bentonite Hybrid System as a Green, Reversible, and Selective Colorimetric Sensor for Hg2+ Recognition
Maya, R J
;
Athira, K
;
Sirajunnisa, P
;
Suresh, C H
;
Luxmi Varma, R
2017-01-17
Massive Dihydrogen Uptake by Anionic Carbon Chains
Della, T D
;
Suresh, C H
2017-12-13
A Supramolecular Nanocomposite as a Near-Infrared- Transmitting Optical Filter for Security and Forensic Applications
Ghosh, S
;
Sandeep, C
;
Suresh, C H
;
Ajayaghosh, A
2017-12-04
Meso-Aryl [20]p Homoporphyrin: The Simplest Expanded Porphyrin with the Smallest Mçbius Topology
Anju, K S
;
Mainak Das
;
Adinarayana, B
;
Suresh, C H
;
Srinivasan, A
2017-03-20
Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics
Vijayalakshmi, K P
;
Suresh, C H
2017-08-03
Interpreting Oxidative Addition of Ph−X (X = CH3, F, Cl, and Br) to Monoligated Pd(0) Catalysts Using Molecular Electrostatic Potential
Anjali, B A
;
Suresh, C H
2017-08-15
Dihydrogen Binding Affinity of Polyatomic Anions: A DFT Study
Della, T D
;
Suresh, C H
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Author
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Mainak Das
1
Maya, R J
1
Rakhi, R
1
Remya, P R
1
Sandeep, C
1
Sandhya, K S
1
Sirajunnisa, P
1
Srinivasan, A
1
Sudheesh, K V
1
Vijayalakshmi, K P
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density functional calculations
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aromaticity
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band gap
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Bentonite
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bond stretch isomerism
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Calix[4]arene
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carbon dioxide fixation
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conjugation
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coordination chemistry
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