Molecular structure, QTAIM and bonding character of cation–π interactions of mono- and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+ and Ca2+) with drug of acetaminophen

Density functional theory computational study on solvent effect, molecular conformations, energies and intramolecular hydrogen bond strength in different possible nano-conformers of acetaminophen

(2016) Mehdi Yoosefian et al.   JOURNAL OF MOLECULAR LIQUIDS

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach

(2015) Leila Hokmabady et al.   STRUCTURAL CHEMISTRY

A Theoretical DFT Study on the Structural Parameters and Intramolecular Hydrogen-Bond Strength in Substituted (Z)-N-(Thionitrosomethylene)thiohydroxylamine Systems

(2013) Heidar Raissi et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Theoretical Description of Substituent Effects in 2,4-Pentanedione: AIM, NBO, and NMR Study

(2012) Heidar Raissi et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Theoretical study on the interaction of glutathione with group IA (Li+, Na+, K+), IIA (Be2+, Mg2+, Ca2+), and IIIA (Al3+) metal cations

(2012) Jianhua Liu et al.   STRUCTURAL CHEMISTRY

Cation–π versus anion–π interactions: A theoretical NMR study

(2011) Ali Ebrahimi et al.   CHEMICAL PHYSICS LETTERS

Substituent effect on the reaction mechanism of proton transfer in formamide

(2011) Heidar Raissi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The Accuracy of Density Functional Theory in the Description of Cation−π and π–Hydrogen Bond Interactions

(2011) Ana Rute Neves et al.   Journal of Chemical Theory and Computation

FT-Raman, FT-IR spectral and DFT studies on (E)-1-4-nitrobenzylidenethiocarbonohydrazide

(2011) V. Thanikachalam et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Structural, vibrational, electronic, NMR and reactivity analyses of 2-amino-4H-chromene-3-carbonitrile (ACC) by ab initio HF and DFT calculations

(2011) C. Sridevi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Acetaminophen: Beyond Pain and Fever-Relieving

(2011) Eric R. Blough et al.   Frontiers in Pharmacology

Simultaneous voltammetric determination of acetaminophen, aspirin and caffeine using an in situ surfactant-modified multiwalled carbon nanotube paste electrode

(2010) Bankim J. Sanghavi et al.   ELECTROCHIMICA ACTA

Acetaminophen-Induced Hepatotoxicity in Mice Occurs with Inhibition of Activity and Nitration of Mitochondrial Manganese Superoxide Dismutase

(2010) R. Agarwal et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

A study on interaction of Be++, Mg++ and Ca++ with phenylalanine: Binding energies, metal ion affinities and IR signature of complex stability

(2010) Nidhi Vyas et al.   VIBRATIONAL SPECTROSCOPY

Binding Mechanisms in Supramolecular Complexes

(2009) Hans-Jörg Schneider   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Explicit Solvent Effect on Cation−π Interactions: A First Principle Investigation

(2009) J. Srinivasa Rao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Acetaminophen induced renal injury via oxidative stress and TNF-α production: Therapeutic potential of arjunolic acid

(2009) Jyotirmoy Ghosh et al.   TOXICOLOGY

Acetaminophen normalizes glucose homeostasis in mouse models for diabetes

(2008) Howard G. Shertzer et al.   BIOCHEMICAL PHARMACOLOGY

Theoretical study of solvent effects on the conformational preference in CH2FWH (W=O, S) using PCM and IPCM methods

(2008) Hossein Roohi et al.   JOURNAL OF MOLECULAR LIQUIDS

Effects of Basis Set Superposition Error on Optimized Geometries and Complexation Energies of Organo-Alkali Metal Cation Complexes

(2008) Chang Kon Kim et al.   JOURNAL OF PHYSICAL CHEMISTRY A