On the Stereochemical Outcome of the Catalyzed and Uncatalyzed Cycloaddition Reaction between Activated Ketenes and Aldehydes to form cis- and trans-2-Oxetanones. An ab Initio Study

1995 ◽  
Vol 117 (49) ◽  
pp. 12314-12321 ◽  
Author(s):  
Begona Lecea ◽  
Ana Arrieta ◽  
Xabier Lopez ◽  
Jesus M. Ugalde ◽  
Fernando P. Cossio
Keyword(s):  
Ab Initio ◽  
Cycloaddition Reaction ◽  
Ab Initio Study ◽  
Cis And Trans

A rotational spectroscopic and ab initio study of cis and trans (-)-carveol: Further insights into conformational dynamics in monoterpenes and monoterpenoids

2021 ◽  
Author(s):  
Arsh Singh Hazrah ◽  
Mohamad al-Jabiri ◽  
Raiden Speelman ◽  
Wolfgang Jaeger
Keyword(s):  
Fourier Transform ◽  
Ab Initio ◽  
Conformational Dynamics ◽  
Ab Initio Study ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
Microwave Spectrometer ◽  
Cis And Trans

Broadband rotational spectra of cis- and trans- (-) carveol were recorded using a chirped pulse Fourier transform microwave spectrometer in the 2-6 GHz region. To aid in spectroscopic assignments a...

Atomic charges and charge fluxes in cis and trans-C2H2X2 (X=F, Cl): an ab initio study

1991 ◽  
Vol 248 (3-4) ◽  
pp. 281-288 ◽  
Author(s):  
M.N. Ramos ◽  
R. Fausto ◽  
J.J.C. Teixeira-Dias ◽  
C. Castiglioni ◽  
M. Gussoni ◽  
...  
Keyword(s):  
Ab Initio ◽  
Atomic Charges ◽  
Ab Initio Study ◽  
Cis And Trans ◽  
In Cis

scholarly journals An ab initio study of the mechanism of the cycloaddition reaction forming bicyclic compounds between vinylidene (H2C=C:) and ethylene

2011 ◽  
Vol 76 (5) ◽  
pp. 743-749 ◽  
Author(s):  
Xiuhui Lu ◽  
Zhenxia Lian ◽  
Li Yongqing
Keyword(s):  
Ab Initio ◽  
Cycloaddition Reaction ◽  
Ab Initio Study ◽  
Bicyclic Compounds

The mechanism of the cycloaddition reaction forming a bicyclic compounds between singlet vinylidene (H2C=C:) and ethylene was investigated using the CCSD(T)//MP2/6-31G

Ab initio Study of Mechanism of Cycloaddition Reaction between Germylene Silylene (H2GeSi:) and Acetone

2011 ◽  
Vol 29 (9) ◽  
pp. 1969-1974 ◽  
Author(s):  
Xiuhui Lu ◽  
Junfeng Han ◽  
Yongqing Li ◽  
Zhina Wang
Keyword(s):  
Ab Initio ◽  
Cycloaddition Reaction ◽  
Ab Initio Study
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