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Volumn 110, Issue 51, 2006, Pages 26442-26447

Experimental charge density study of estrogens: 17β- estradiol·urea

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; DERIVATIVES; ELECTRIC POTENTIAL; ELECTROSTATICS; MOLECULAR DYNAMICS; UREA;

EID: 33846364584     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp065638x     Document Type: Article
Times cited : (37)

References (54)
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    • (1994) Science , vol.266 , pp. 1524-1527
    • Korach, K.S.1
  • 18
    • 33846346728 scopus 로고    scopus 로고
    • BRUKER-AXS: Madison, WI
    • SAINT Software Package; BRUKER-AXS: Madison, WI, 1999
    • (1999) SAINT Software Package
  • 20
    • 84906412109 scopus 로고    scopus 로고
    • Sheldrick, G. M.; SHELXTL, V. 6.14, An Integrated System for Solving, Refining and Displaying Crystal Structures from Diffraction Data; University of Göttingen: Göttingen, Germany, 2000.
    • Sheldrick, G. M.; SHELXTL, V. 6.14, An Integrated System for Solving, Refining and Displaying Crystal Structures from Diffraction Data; University of Göttingen: Göttingen, Germany, 2000.
  • 21
    • 84906368824 scopus 로고    scopus 로고
    • Koritsanszky, T.; Richter, T.; Macci, P.; Gatti, C.; Howard, S.; Mallinson, P. R.; Farrugia, L.; Su, Z. W.; Hansen, N. K. XD, A Computer Program Package for Multipole Refinement and Analysis of Electron Densities from Diffraction Data, Tech. Rep.; Freie Universität Berlin: Berlin, Germany, 2003.
    • Koritsanszky, T.; Richter, T.; Macci, P.; Gatti, C.; Howard, S.; Mallinson, P. R.; Farrugia, L.; Su, Z. W.; Hansen, N. K. XD, A Computer Program Package for Multipole Refinement and Analysis of Electron Densities from Diffraction Data, Tech. Rep.; Freie Universität Berlin: Berlin, Germany, 2003.
  • 32
    • 84906383192 scopus 로고    scopus 로고
    • CP) = 0. The saddle (3,-1) point reflects the chemical bonding.
    • CP) = 0. The saddle (3,-1) point reflects the chemical bonding.
  • 33
    • 0000614303 scopus 로고
    • Bader, R. F. W. Phys. Rev. 1994, B49, 13348-13356.
    • (1994) Phys. Rev , vol.B49 , pp. 13348-13356
    • Bader, R.F.W.1
  • 34
    • 84906397656 scopus 로고    scopus 로고
    • A bond path is a line along which the electron density decreases for any lateral displacement
    • A bond path is a line along which the electron density decreases for any lateral displacement.
  • 36
    • 84906397657 scopus 로고    scopus 로고
    • Symmetry operations are the following: for H(1NB) {x, y, z}, for H(2NB) {-x, 0.5 + y, 0.5 - z - 1}, for H(IO) {0.5 - x - 2,- y - 1, 0.5 + z}, for H(2NA) {- x - 0.5, - y - 1, z + 0.5}, for H(2O) {0.5 - x, 0.5 + v - 1, - z - 1}, for H(1NA) {x, 0.5 - y - 2, - z}.
    • Symmetry operations are the following: for H(1NB) {x, y, z}, for H(2NB) {-x, 0.5 + y, 0.5 - z - 1}, for H(IO) {0.5 - x - 2,- y - 1, 0.5 + z}, for H(2NA) {- x - 0.5, - y - 1, z + 0.5}, for H(2O) {0.5 - x, 0.5 + v - 1, - z - 1}, for H(1NA) {x, 0.5 - y - 2, - z}.
  • 47
    • 84906412108 scopus 로고    scopus 로고
    • http://www.csc.fi/gopenmol/.
  • 49
    • 84906383193 scopus 로고    scopus 로고
    • The C(13)-C(14)-C(15)-C(16)-C(17) ring.
    • The C(13)-C(14)-C(15)-C(16)-C(17) ring.
  • 54
    • 84906397658 scopus 로고    scopus 로고
    • Courtesy of Dr. A. Stash, 2006.
    • Courtesy of Dr. A. Stash, 2006.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.