Abstract DFT (B3LYP) and ab initio (MP2) levels of theories using standard 6-31+ G (d, p)
basis set have been carried out to investigate the isomeric structures, energies and …

The reaction of geminal dihalocyclopropanes with metals or alkyllithiums affords carbenoids
which undergo low-temperature ring opening to allenes; this is known as the Doering …

The isomeric structures, energies, and properties of the substituted silacyclopropylidenoids,
SiC2H3RLiBr (R=-H,-CH3,-SiH3,-CN,-OH,-NH2), were studied by ab initio calculations at …

Vinylidenes (: C= CR2) are a transient subclass of carbenes and readily isomerize to the
respective alkynes (RC≡ CR). While stabilization by metal coordination is possible, their …

The formation of silaspiropentane from addition of singlet silacyclopropylidene 1 and
silacyclopropylidenoid 8 to ethylene has been investigated separately at the B3LYP, X3LYP …

Abstract The proton-transfer compound (3) was synthesized in good yields by the reaction of
anthranilic acid with p-toluenesulfonic acid. It was characterized by elemental analysis …

The cycloaddition reactions of silacyclopropylidenoids (C2H4SiXLi, X= F, Cl, Br) to ethylene
have been investigated separately to gain insights into halogen and solvation effects on the …

Density functional theory computations at B3LYP and X3LYP levels were performed for ring
openings of substituted gem‐dibromospiropentanes (R=―H,―Cl,―Br,―CH3,―SiH3,―OH …

Density functional theory and ab initio computations elucidated the ring-opening of
substituted (R=–CF 3,–CN,–CH 3,–H,–NH 2,–OCH 3,–OH,–SiH 3) 1-bromo–1-lithiosilirane 1 …

7-epicandicandiol is an ent-kaurane diterpenoid isolated from Sideritis niveotomentosa
Huber–Morathii. The molecular geometry, vibrational frequencies, and gauge including …