Magnetic descriptors of hydrogen bonds in malonaldehyde and its derivatives (original) (raw)

A theoretical study of hydrogen bonding in malonaldehyde

JAVIER ALEJANDRO MANRIQUE CATALAN

Journal of the American Chemical Society, 1978

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Exploring the correlation between the π-electron delocalization and intramolecular hydrogen bond in malonaldehyde derivatives; a quantum chemical study

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The Nature of Intramolecular Resonance Assisted Hydrogen Bonding in Malonaldehyde and Its Saturated Analogue

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Ab initio magnetic shielding tensors of malonaldehyde

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On the performance of resonance assisted hydrogen bond theory in malonaldehyde derivatives

Alireza Nowroozi

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Experimental and Theoretical Spin Density in a Ferromagnetic Molecular Complex Presenting Interheteromolecular Hydrogen Bonds [ J. Am. Chem. Soc. 1999 , 121 , 10126-10133]

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R. Aminova

Theoretical and Experimental Chemistry, 1987

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Analysis of the effect of substitution on the intramolecular hydrogen bond of malonaldehyde by ab initio calculations at the 3–21G level

Jesus Rodríguez

Journal of Molecular Structure: THEOCHEM, 1991

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Experimental and Theoretical Spin Density in a Ferromagnetic Molecular Complex Presenting Interheteromolecular Hydrogen Bonds

Eddy Lelièvre-Berna

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Resonance assisted hydrogen bonds in open-chain and cyclic structures of malonaldehyde enol: A theoretical study

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Vincent Aroulmoji

1993

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The effects of C by N replacement on the hydrogen bonding of malonaldehyde: N-formylformimidic acid, N-(hydroxymethyl)formamide and related compounds

Otilia Mó

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Nuclear Magnetic Resonance Studies of Hydrogen Bonding. I. Carboxylic ACIDS1

guilherme maciel

The Journal of Physical Chemistry, 1960

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Calculation of magnetic properties of HF, H2O, NH3, and CH4 molecules using a longitudinal gauge for the vector potential

Marta Ferraro

International Journal of Quantum Chemistry, 1998

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Hydrogen-bond strengths by magnetically induced currents

Dage Sundholm

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Radical para-Benzoic Acid Derivatives: Transmission of Ferromagnetic Interactions through Hydrogen Bonds at Long Distances

Concepcio Rovira

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Magnetizable molecular model (MMM)—behaviour of enantiomers in magnetic fields

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Journal of Molecular Structure: THEOCHEM, 2005

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Deuterium NMR and Ab Initio Studies of Strongly Hydrogen-Bonded Molecules

Gerard Harbison

Solid State Nuclear Magnetic Resonance, 2002

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Intramolecular hydrogen bonding in malonaldehyde and its radical analogues

Manoj Kumar

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Proton NMR resonance assignment of the active site residues of paramagnetic proteins by 2D bond correlation spectroscopy: metcyanomyoglobin

Krishna Rajarathnam

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On the structural and electronic properties of methylenemalonaldehyde

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Topology of the magnetically induced current density and proton magnetic shielding in hydrogen bonded systems

Riccardo Zanasi

Phys. Chem. Chem. Phys., 2015

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Do coupling constants and chemical shifts provide evidence for the existence of resonance-assisted hydrogen bonds?

Manuel Yañez, Otilia Mó

Molecular Physics, 2004

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Igor Shcherbakov

Russian Journal of Coordination Chemistry, 2015

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Correlation of empirical magnetic susceptibility tensors and structure in low-spin haem proteins

Ana Messias

European Biophysics Journal With Biophysics Letters, 2000

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Microwave spectroscopic study of malonaldehyde (3-hydroxy-2-propenal). 2. Structure, dipole moment, and tunneling

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Journal of the American Chemical Society, 1981

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Variation of H2 bond length with magnetic field

Anirban Misra

Journal of Molecular Spectroscopy, 2008

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Density Functional Theory and Atoms-in-Molecules Investigation of Intramolecular Hydrogen Bonding in Derivatives of Malonaldehyde and Implications for Resonance-Assisted Hydrogen Bonding

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Strong Supramolecular-Based Magnetic Exchange in π-Stacked Radicals. Structure and Magnetism of a Hydrogen-Bonded Verdazyl Radical:Hydroquinone Molecular Solid

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