Structure, energy, vibrational spectrum, and Bader's analysis of π⋯ H hydrogen bonds and H− δ⋯ H+ δ dihydrogen bonds

BG de Oliveira - Physical Chemistry Chemical Physics, 2013 - pubs.rsc.org
In this paper, the intermolecular structural study asserted by the vibrational analysis in the
stretch frequencies of hydrogen bonds (π⋯ H) and dihydrogen bonds (H− δ⋯ H+ δ) have …

Acidity and basicity interplay in amide and imide self-association

WEV Narváez, EI Jiménez, E Romero-Montalvo… - Chemical …, 2018 - pubs.rsc.org
Amides dimerise more strongly than imides despite their lower acidity. Such an unexpected
result has been rationalised in terms of the Jorgensen Secondary Interactions Hypothesis …

The role of vibronic coupling in the electronic spectroscopy of maleimide: a multi-mode and multi-state quantum dynamics study

A Lehr, S Gómez, MA Parkes, GA Worth - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
The first two excitation bands below 7 eV in the electronic absorption spectrum of maleimide
are investigated using a model Hamiltonian including four low-lying singlet excited states …

Dihydrogen bonds and blue‐shifting hydrogen bonds: A theoretical study of AH···HCF3 and TH2···HCF3 model systems with A = Li or Na and T = Be or Mg

BG de Oliveira, MN Ramos - International Journal of Quantum …, 2010 - Wiley Online Library
A theoretical study of the molecular properties of AH··· HCF3 and TH2··· HCF3 (A= Li or Na
and T= Be or Mg) model systems has been carried out at the B3LYP/6‐311++ G (3df, 3pd) …

Maleimide functionalized silicon surfaces for biosensing investigated by in-situ IRSE and EQCM

P Kanyong, G Sun, F Rösicke, V Syritski… - Electrochemistry …, 2015 - Elsevier
A quantitative study of the electrodeposition of nominal 3–5 monolayers of p-
maleimidophenyl (p-MP) with current transients, electrochemical quartz crystal microbalance …

Effects of Cure on the Ionic Conductivity and Relaxation Strength of a Reversible Polymer Network Studied by Dielectric Spectroscopy.

J Mangialetto, N Van den Brande… - IEEE Transactions on …, 2024 - ieeexplore.ieee.org
This study employs broadband dielectric spectroscopy (BDS) to investigate the cure kinetics
and chemical equilibria of a Diels-Alder (DA) reversible network. Focusing on segmental …

Excimer of 9-aminoacridine hydrochloride hydrate in confined medium: an integrated experimental and theoretical study

P Mitra, B Chakraborty, D Bhattacharyya… - The Journal of Physical …, 2013 - ACS Publications
We aim to find out the extent of stability of the excimer of 9-aminoacridine hydrochloride
hydrate (9AA), a prospective PDT drug, in different confined media with varying cavity size …

Hydrogen bond complexes of hydantoin: a theoretical study

D Nadvorny, JBP Da Silva - International Journal of Quantum …, 2011 - Wiley Online Library
The chemical compound hydantoin is commonly used in the synthesis of broad‐spectrum
medicaments with multiple pharmacological activities. There are several papers in literature …

A theoretical study of the vibrational spectrum of maleimide

EC Aguiar, JBP Da Silva, MN Ramos - Journal of Molecular Structure, 2011 - Elsevier
B3LYP and MP2 theoretical calculations with 6-31++ G (d, p) basis set have been performed
to interpret the infrared spectrum of maleimide. The anharmonicity effect has been included …

Estudo da reatividade de enaminonas heterocíclicas com anidrido maleico e maleimidas. Implicações sintéticas e mecanísticas na síntese de núcleos pirrolizidínicos …

AO Santos - 2015 - repositorio.ufba.br
Este trabalho descreve o estudo da reatividade de enaminonas heterocíclicas com anidrido
maleico e maleimidas na preparação de derivados do esqueleto do tipo bicíclicos …