Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses

Water dimer isomers: interaction energies and electronic structure

(2020) Sourav Ranjan Ghosh et al.   JOURNAL OF MOLECULAR MODELING

Bis‐thiourea Derivatives and Their Utility in Synthesis of Mono‐heterocyclic, Bis‐heterocyclic, and Fused Heterocyclic Systems

(2019) Kamal M. Dawood   JOURNAL OF HETEROCYCLIC CHEMISTRY

Solvent-free mechanochemical synthesis, hirshfeld surface analysis, crystal structure, spectroscopic characterization and NBO analysis of Bis(ammonium) Bis((4-methoxyphenyl) phosphonodithioato)-nickel (II) dihydrate with DFT studies

(2019) Tomilola J. Ajayi et al.   JOURNAL OF MOLECULAR STRUCTURE

Intermolecular hydrogen bonds in urea–water complexes: DFT, NBO, and AIM analysis

(2015) Ferid Hammami et al.   Computational and Theoretical Chemistry

Density functional theory study of equimolar complexation of urea or thiourea with 2-alcoxybenzamide

(2015) M. Hata et al.   JOURNAL OF STRUCTURAL CHEMISTRY

Pharmacovigilance and tuberculosis: applying the lessons of thioacetazone

(2014) Dennis Falzon et al.   BULLETIN OF THE WORLD HEALTH ORGANIZATION

The molecular structure of the interface between water and a hydrophobic substrate is liquid-vapor like

(2014) Adam P. Willard et al.   JOURNAL OF CHEMICAL PHYSICS

Apparent Molar Volumes and Expansibilities of Thiourea, 1,3-Dimethylurea, and 1,3-Dimethylthiourea in Water at Temperatures from T = (278.15 to 318.15) K and Atmospheric Pressure

(2013) Evgeniy V. Ivanov et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile

(2013) Parag Agarwal et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Oxidation of thiourea and substituted thioureas: a review

(2011) Sandhyamayee Sahu et al.   Journal of Sulfur Chemistry

Chemistry and heterocyclization of dithiobiurea and thioureidoalkylthiourea

(2010) Alaa A. Hassan et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

(Bis)urea and (Bis)thiourea Inhibitors of Lysine-Specific Demethylase 1 as Epigenetic Modulators

(2010) Shiv K. Sharma et al.   JOURNAL OF MEDICINAL CHEMISTRY

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Novel Scalable Synthesis of Pramipexole

(2010) Matej Živec et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

N-d-Aldopentofuranosyl-N′-[p-(isoamyloxy)phenyl]-thiourea derivatives: Potential anti-TB therapeutic agents

(2008) Avraham Liav et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS