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Journal Abstract Search

162 related items for PubMed ID: 15303909

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  • 2. Method and algorithm of obtaining the molecular intrinsic characteristic contours (MICCs) of organic molecules.
    Yang ZZ, Gong LD, Zhao DX, Zhang MB.
    J Comput Chem; 2005 Jan 15; 26(1):35-47. PubMed ID: 15526323
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  • 3. Structural and dynamical properties of hydrogen fluoride in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics simulation.
    Kritayakornupong C, Vchirawongkwin V, Hofer TS, Rode BM.
    J Phys Chem B; 2008 Sep 25; 112(38):12032-7. PubMed ID: 18729507
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  • 8. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.
    Chamorro ER, Sequeira AF, Zalazar MF, Peruchena NM.
    Bioorg Med Chem; 2008 Sep 15; 16(18):8535-45. PubMed ID: 18752964
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  • 9. Molecule intrinsic minimal basis sets. II. Bonding analyses for Si4H6 and Si2 to Si10.
    Lu WC, Wang CZ, Schmidt MW, Bytautas L, Ho KM, Ruedenberg K.
    J Chem Phys; 2004 Feb 08; 120(6):2638-51. PubMed ID: 15268407
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  • 11. Properties of halogen atoms for representing intermolecular electrostatic interactions related to halogen bonding and their substituent effects.
    Torii H, Yoshida M.
    J Comput Chem; 2010 Jan 15; 31(1):107-16. PubMed ID: 19421995
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  • 12. Nonadiabatic electron wavepacket dynamics of molecules in an intense optical field: an ab initio electronic state study.
    Yonehara T, Takatsuka K.
    J Chem Phys; 2008 Apr 21; 128(15):154104. PubMed ID: 18433187
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  • 15. Interaction energy of a water molecule with a single-layer graphitic surface modeled by hydrogen- and fluorine-terminated clusters.
    Sudiarta IW, Geldart DJ.
    J Phys Chem A; 2006 Sep 07; 110(35):10501-6. PubMed ID: 16942056
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  • 18. Experimental electron density study of a complex between copper(II) and the antibacterial quinolone family member ciprofloxacin.
    Overgaard J, Turel I, Hibbs DE.
    Dalton Trans; 2007 Jun 07; (21):2171-8. PubMed ID: 17514338
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  • 19. Characterization of a closed-shell fluorine-fluorine bonding interaction in aromatic compounds on the basis of the electron density.
    Matta CF, Castillo N, Boyd RJ.
    J Phys Chem A; 2005 Apr 28; 109(16):3669-81. PubMed ID: 16839033
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