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Journal Abstract Search

675 related items for PubMed ID: 18680333

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  • 4. Theoretical studies on the thermodynamics and kinetics of the N-glycosidic bond cleavage in deoxythymidine glycol.
    Chen ZQ, Zhang CH, Xue Y.
    J Phys Chem B; 2009 Jul 30; 113(30):10409-20. PubMed ID: 19719287
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  • 5. Substituent effect on the acid-promoted hydrolysis of 2-aryloxazolin-5-one: normal vs reverse.
    Zeng Y, Xue Y, Yan G.
    J Phys Chem A; 2011 May 19; 115(19):4995-5004. PubMed ID: 21524108
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  • 6. Modeling H-bonding and solvent effects in the alkylation of pyrimidine bases by a prototype quinone methide: a DFT study.
    Freccero M, Di Valentin C, Sarzi-Amadè M, DFT study.
    J Am Chem Soc; 2003 Mar 26; 125(12):3544-53. PubMed ID: 12643716
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  • 7. Water-promoted hydrolysis of a highly twisted amide: rate acceleration caused by the twist of the amide bond.
    Mujika JI, Mercero JM, Lopez X.
    J Am Chem Soc; 2005 Mar 30; 127(12):4445-53. PubMed ID: 15783227
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  • 8. A comprehensive theoretical study on the hydrolysis of carbonyl sulfide in the neutral water.
    Deng C, Li QG, Ren Y, Wong NB, Chu SY, Zhu HJ.
    J Comput Chem; 2008 Feb 30; 29(3):466-80. PubMed ID: 17663440
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  • 9. Theoretical studies on the mechanism of C-P bond cleavage of a model alpha-aminophosphonate in acidic condition.
    Doskocz M, Roszak S, Majumdar D, Doskocz J, Gancarz R, Leszczynski J.
    J Phys Chem A; 2008 Mar 13; 112(10):2077-81. PubMed ID: 18001015
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  • 11. Excited-state proton transfer through water bridges and structure of hydrogen-bonded complexes in 1H-pyrrolo[3,2-h]quinoline: adiabatic time-dependent density functional theory study.
    Kyrychenko A, Waluk J.
    J Phys Chem A; 2006 Nov 02; 110(43):11958-67. PubMed ID: 17064184
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  • 13. Mechanisms of formation of 8-oxoguanine due to reactions of one and two OH* radicals and the H2O2 molecule with guanine: A quantum computational study.
    Jena NR, Mishra PC.
    J Phys Chem B; 2005 Jul 28; 109(29):14205-18. PubMed ID: 16852784
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  • 14. Theoretical evidence of barrier-free proton transfer in 7-azaindole-water cluster anions.
    Chen HY, Young PY, Hsu SC.
    J Chem Phys; 2009 Apr 28; 130(16):165101. PubMed ID: 19405633
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  • 15. An exploration of mechanisms for the transformation of 8-oxoguanine to guanidinohydantoin and spiroiminodihydantoin by density functional theory.
    Munk BH, Burrows CJ, Schlegel HB.
    J Am Chem Soc; 2008 Apr 16; 130(15):5245-56. PubMed ID: 18355018
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  • 16. Computational studies of nucleophilic substitution at carbonyl carbon: the S(N)2 mechanism versus the tetrahedral intermediate in organic synthesis.
    Fox JM, Dmitrenko O, Liao LA, Bach RD.
    J Org Chem; 2004 Oct 15; 69(21):7317-28. PubMed ID: 15471486
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  • 17. Theoretical and experimental investigation of the energetics of cis-trans proline isomerization in peptide models.
    Schroeder OE, Carper E, Wind JJ, Poutsma JL, Etzkorn FA, Poutsma JC.
    J Phys Chem A; 2006 May 25; 110(20):6522-30. PubMed ID: 16706410
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  • 18. Computational chemistry study of the environmentally important acid-catalyzed hydrolysis of atrazine and related 2-chloro-s-triazines.
    Sawunyama P, Bailey GW.
    Pest Manag Sci; 2002 Aug 25; 58(8):759-68. PubMed ID: 12192899
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  • 20. Mechanism of acid-catalyzed hydrolysis of formamide from cluster-continuum model calculations: concerted versus stepwise pathway.
    Wang B, Cao Z.
    J Phys Chem A; 2010 Dec 16; 114(49):12918-27. PubMed ID: 21082851
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