메뉴 건너뛰기




Volumn 10, Issue 23, 2008, Pages 5413-5416

Estimating the stereoinductive potential of cinchona alkaloids with a prochiral probe approach

Author keywords

[No Author keywords available]

Indexed keywords


EID: 61349104342     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol8023067     Document Type: Article
Times cited : (11)

References (29)
  • 15
    • 61349123443 scopus 로고    scopus 로고
    • Using geometries optimized at the MP2(FC)/6-31G(d) level (instead of B98/6-31G(d, leaves the MCA value of 1 unchanged. For compound 3, the MCA value amounts to 565.4 kJ mol-1 with MP2(FC)/6-31G(d) geometries and to 562.4 kJ mol-1 with B98/6-31G(d) geometries. These small changes indicate that the use of B98/6-31G(d) geometries is very reliable for the calculation of MCA values
    • -1 with B98/6-31G(d) geometries. These small changes indicate that the use of B98/6-31G(d) geometries is very reliable for the calculation of MCA values.
  • 16
    • 61349132738 scopus 로고    scopus 로고
    • Using geometries optimized at the MP2(FC)/6-31G(d) level (instead of B98/6-31G(d, the MOSCAre and MOSCAsi of 1 are 218.5 and 224.1 kJ mol-1, respectively, differing from the values using B98/6-31G(d) geometries by only 3 kJ mol-1. AMOSCAre-si using MP2(FC)/6-31G(d) geometries is -5.6 kJ mol-1, which is slightly different from -5.5 kJ mol-1 using B98/6-31G(d) geometries. These small changes indicate that the use of B98/6-31G(d) geometries is very reliable for the calculation of MOSCA values
    • -1 using B98/6-31G(d) geometries. These small changes indicate that the use of B98/6-31G(d) geometries is very reliable for the calculation of MOSCA values.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.