A gradient-corrected density functional study of indole self-association through N–H ⋯ π hydrogen bonding
Ljupco Pejov
Chemical Physics Letters, 2001
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A gradient-corrected density functional study of indole self-association through N–H hydrogen bonding
Ljupco Pejov
Chemical Physics Letters, 2001
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π-Hydrogen Bonding Wins over Conventional Hydrogen Bonding Interaction: A Jet-Cooled Study of Indole···Furan Heterodimer
SUMIT KUMAR
The Journal of Physical Chemistry A, 2012
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Structure of the Indole− Benzene Dimer Revisited
Himansu Biswal
The Journal of Physical …
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In search of OH–π interactions between 1-methylimidazole and water using a combined computational quantum chemistry and ATR-FTIR spectroscopy approach
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Journal of Molecular Structure, 2012
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rahul shukla
Chemistry Central Journal, 2009
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Site Dependence of the Binding Energy of Water to Indole: Microscopic Approach to the Side Chain Hydration of Tryptophan
francois PIUZZI
The Journal of Physical Chemistry A, 1999
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Interaction energies in hydrogen-bonded systems: A testing ground for subsystem formulation of density-functional theory
Ruslan Kevorkyants
The Journal of Chemical Physics, 2006
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Theoretical studies of molecular structure, vibrational spectra and substitution effect on the electronic structure of indole
Dalal . Harkati
Research Journal of Pharmaceutical, Biological and Chemical Sciences
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The influence of N–H⋯π hydrogen bonding on the anharmonicity of the ν(N–H) mode and orientational dynamics of nearly continuously solvated indole
V. Stefov, Bojan Soptrajanov, Ljupco Pejov
Journal of Molecular Structure, 2000
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Vibronic coupling in indole: I. Theoretical description of the 1La–1Lb interaction and the electronic spectrum
Leo Meerts
Physical Chemistry Chemical Physics, 2010
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Theoretical study of the effects of solvents on energy components of indole
Kaushal Srivastava
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DFT computational and experimental study of indole continuum solvation
Ljupco Pejov, V. Stefov
Vibrational Spectroscopy, 1999
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A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H-indol-5-carboxylate
Ali El-Emam
Journal of Molecular Structure, 2017
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Hydrogen Bonding Described Using Dispersion-Corrected Density Functional Theory
Samuel Arey
The Journal of Physical Chemistry B, 2009
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An AB initio study of intramolecular hydrogen-bonding interactions in four-, five- and six-membered ring systems
philip george
Journal of Molecular Structure, 1983
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Density-functional theory exchange-correlation functionals for hydrogen bonds in water
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Analysis of Hydrogen-Bond Interaction Potentials from the Electron Density: Integration of Noncovalent Interaction Regions
JULIA CONTRERAS-GARCIA
The Journal of Physical …, 2011
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The effect of small substituents on the properties of indole. An ab initio 6-31G* study
Caterina Ghio
Journal of Molecular Structure: THEOCHEM, 1998
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New intermolecular benchmark calculations on the water dimer: SAPT and supermolecular post-Hartree-Fock approaches
Peter Reinhardt
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Molecular Interaction Potential with Polarization (MIPp) Study of the Interplay Between Ion-π and Hydrogen Bonding Interactions
Antonio Frontera
The Open Chemical Physics Journal, 2008
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The molecular geometry of indole
Javier Catalán
Journal of Molecular Structure: THEOCHEM, 1997
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Density functional studies of hydrogen-bonded systems
Z. Latajka
Chemical Physics, 2001
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A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contribution
Antonio Marquez
Journal of Computational Chemistry, 2005
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