Ab initio molecular orbital and density functional studies on the solvolysis of sarin and O,S-dimethyl methylphosphonothiolate, a VX-like compound

scientific article published in October 2005

Ab initio molecular orbital and density functional studies on the solvolysis of sarin and O,S-dimethyl methylphosphonothiolate, a VX-like compound is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1021/JO0502706
P698PubMed publication ID16238293
P5875ResearchGate publication ID7528805

P50authorChristopher CramerQ42600254
Eric V PattersonQ62646020
P2093author name stringRyan J Emnett
Jessica L Menke
Jolita Seckute
P433issue22
P407language of work or nameEnglishQ1860
P921main subjectsarinQ187695
P304page(s)8649-8660
P577publication date2005-10-01
P1433published inJournal of Organic ChemistryQ898967
P1476titleAb initio molecular orbital and density functional studies on the solvolysis of sarin and O,S-dimethyl methylphosphonothiolate, a VX-like compound
P478volume70

Reverse relations

cites work (P2860)
Q84785565Assessing the reactivation efficacy of hydroxylamine anion towards VX-inhibited AChE: a computational study
Q52930210Decomposition of O,S-dimethyl methylphosphonothiolate by ammonia on magnesium oxide: a theoretical study of catalytic detoxification of a chemical warfare agent.
Q46528552First-principles molecular dynamics simulations of condensed-phase V-type nerve agent reaction pathways and energy barriers
Q42050042How is acetylcholinesterase phosphonylated by soman? An ab initio QM/MM molecular dynamics study
Q42209943Hydrolysis of nerve agents by model nucleophiles: a computational study.
Q44908573Mass spectral characterization of the CWC-related isomeric dialkyl alkylphosphonothiolates/alkylphosphonothionates under gas chromatography/mass spectrometry conditions
Q56880699Nucleophilic Substitution at Phosphorus Centers (SN2@P)
Q42149918Reaction profiles of the interaction between sarin and acetylcholinesterase and the S203C mutant: model nucleophiles and QM/MM potential energy surfaces
Q56880688Stepwise walden inversion in nucleophilic substitution at phosphorus
Q51591529Variable mechanism of nucleophilic substitution of P-stereogenic phosphoryl chloride with alkynyl metallic reagents.

Search more.