Gas-phase reactivity of uracil, 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil towards the Cu+ cation: a DFT study.
Lamsabhi
Al Mokhtar
AM
Departamento de Química, C-9 Universidad Autónoma de Madrid Cantoblanco, 28049-Madrid, Spain.
Alcamí
Manuel
M
Mó
Otilia
O
Yáñez
Manuel
M
D002412:Cations / Q000737:chemistry; D003300:Copper / Q000737:chemistry*; D004579:Electron Transport; D005740:Gases; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000032:analysis* / Q000737:chemistry; D010100:Oxygen / Q000737:chemistry; D013237:Stereoisomerism; D013329:Structure-Activity Relationship; D013455:Sulfur / Q000737:chemistry; D013816:Thermodynamics; D013889:Thiouracil / Q000031:analogs & derivatives / Q000737:chemistry; D014498:Uracil / Q000737:chemistry*
D002412:Cations; D005740:Gases; D009942:Organometallic Compounds; C056582:2,4-dithiouracil; D014498:Uracil; D013889:Thiouracil; D013455:Sulfur; D003300:Copper; D010100:Oxygen