메뉴 건너뛰기




Volumn 12, Issue 5, 2012, Pages 2508-2524

From a single molecule to molecular crystal architectures: Structural and energetic studies of selected uracil derivatives

Author keywords

[No Author keywords available]

Indexed keywords

2 ,4-DITHIOURACIL; 2-THIOURACIL; 3D NETWORKS; 5-FLUOROURACIL; ASPHERICAL; COHESIVE ENERGIES; COMPREHENSIVE ANALYSIS; CRYSTAL ARCHITECTURE; CRYSTAL MORPHOLOGIES; CRYSTAL PACKINGS; DEFORMATION ENERGY EVALUATION; ENERGY CALCULATION; HANSEN-COPPENS FORMALISMS; HIGH QUALITY; HYDROGEN ATOMS; INTERACTION ENERGIES; MELTING POINT TEMPERATURE; MODEL-BASED OPC; MOLECULAR LAYER; MUTUAL INTERACTION; SINGLE MOLECULE; STACKING INTERACTION; SULFUR ATOMS; URACIL DERIVATIVES; X-RAY DIFFRACTION DATA;

EID: 84860468369     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg300129z     Document Type: Article
Times cited : (63)

References (108)
  • 60
    • 84860498217 scopus 로고    scopus 로고
    • 2010.3-0; Bruker AXS Inc. Madison, WI, USA
    • APEX2, 2010.3-0; Bruker AXS Inc., Madison, WI, USA; 2010.
    • (2010) APEX2
  • 61
    • 84860492597 scopus 로고    scopus 로고
    • 7.68A; Bruker AXS Inc. Madison, WI, USA
    • SAINT, 7.68A; Bruker AXS Inc., Madison, WI, USA; 2010.
    • (2010) SAINT
  • 62
    • 84860454447 scopus 로고    scopus 로고
    • 171.33.66; Oxford Diffraction Ltd
    • CrysAlis CCD/CrysAlis RED, 171.33.66; Oxford Diffraction Ltd.; 2007.
    • (2007) CrysAlis CCD/CrysAlis RED
  • 66
    • 37549039510 scopus 로고    scopus 로고
    • A short history of SHELX
    • Sheldrick, G. M. A short history of SHELX Acta Crystallogr. 2008, A64, 112-122
    • (2008) Acta Crystallogr. , vol.64 , pp. 112-122
    • Sheldrick, G.M.1
  • 82
    • 84875674943 scopus 로고    scopus 로고
    • Density functional theory with London dispersion corrections
    • Grimme, S. Density functional theory with London dispersion corrections Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2011, 1, 211-228
    • (2011) Wiley Interdiscip. Rev.: Comput. Mol. Sci. , vol.1 , pp. 211-228
    • Grimme, S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.