The gold­(I)-induced rearrangements of a variety of propargyl derivatives (ethers, acetals, acetates, and carbonates) were explored in the gas phase with experiments in an...

The β(1→4) glycosidic linkage found in lactose is a prevalent structural motif in many carbohydrates and glycoconjugates. Using UV and IR ion-dip spectroscopies to probe benzyl...

We have theoretically studied the oxidative addition of all halomethanes CH3X (with X = F, Cl, Br, I, At) to Pd and PdCl-, using both nonrelativistic and...

Triplet excitation transfer from biacetyl trapped inside three hemicarcerands of different size (1, 2, and 3) to acceptors in the surrounding medium was investigated. The...

This paper re-examines gas-phase SN2 reactions at saturated carbon for model reactions Nu- + CH3Cl → CH3Nu + Cl- (Nu- = HO-, MeO-, NH2-, HS-, Cl-, Br-, I-, HOO-, MeOO-, HSS-,...

A nanocrystalline CaSb2O5(OH)2 photocatalyst synthesized from CaCl2 and K2H2Sb2O7 was used to degrade benzene in the gas phase for the first time. The obtained sample was...

Toward resolving the current controversy regarding the validity of the α-effect, we have examined the reactions of Y-substituted phenyl methanesulfonates 1a−1l with HOO−, OH−,...

We measured sensitive real-time change of low-chlorinated (Cl1−Cl3) benzenes in gas phase from heated model and real solid samples using the recently developed vacuum...

The β(1→4) glycosidic linkage found in lactose is a prevalent structural motif in many carbohydrates and glycoconjugates. Using UV and IR ion-dip spectroscopies to probe benzyl...

Intrastrand thymine dimerization is the dominant process leading to DNA photodamage after ultraviolet irradiation. However, the mechanism behind this photoreaction is not well...

This perspective presents an overview of the properties of tobacco smoke aerosol and the possible effect of ammonia on the deposition location, retention and the amount and rate...

The possible mechanisms of the aminolysis of N-methyl-3-(methoxycarbonyl)-4-hydroxy-2-pyridone (β-hydroxy-α,β-unsaturated ester) with dimethylamine are investigated at the...

Three possible mechanisms (zwitterionic, neutral stepwise, and neutral concerted) of the ring-opening reaction of 2-benzoxazolinone (BO) upon aminolysis with methylamine were...

We report an ab initio study of the identity carbon-to-carbon proton-transfer NCCH2Y + NCCHY- ⇄ NCCHY- + NCCH2Y in the gas phase, where Y = H, CHCH2, CHO, CHS, CN, NO, and...

Ab initio calculations were used to determine the equilibrium geometries and energies of lithium dimethylaminoborohydride. Relative energies of the monomeric and dimeric species...

The fluorescence of four semiflexibly bridged donor−bridge−acceptor systems was studied with a streak camera system. The information-rich streak data make a detailed analysis...

Nitric oxide dimerization in gas phase and aromatic hosts (benzene) has been investigated with ab initio quantum mechanics. Using the (RO)MP2-aug-cc-pVDZ method, the computed...

According to reliable density functional theory (DFT) calculations, 11,12-dimethyl-11,12-diazatetracyclo[6.2.1.13,6.02,7]dodecane derivatives have been predicted as superorganic...

The goal of this study was to elucidate the roles played by the stationary and mobile phases in retention in reversed-phase liquid chromatography (RPLC) in terms of their...

The quaternization reaction between 2-amino-1-methylbenzimidazole and iodomethane was investigated in the gas phase and in liquid acetonitrile. Both experimental and theoretical...