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378 related items for PubMed ID: 18821543

  • 1. Theoretical study on the spectroscopic properties of CO3(*-).nH2O clusters: extrapolation to bulk.
    Pathak AK, Mukherjee T, Maity DK.
    Chemphyschem; 2008 Oct 24; 9(15):2259-64. PubMed ID: 18821543
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  • 3. Quantum chemical study on UV-vis spectra of microhydrated iodine dimer radical anion.
    Pathak AK, Mukherjee T, Maity DK.
    J Phys Chem A; 2010 Jan 21; 114(2):721-4. PubMed ID: 19842674
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  • 4. A comparative ab initio study of Br2*- and Br2 water clusters.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2006 Jan 14; 124(2):024322. PubMed ID: 16422598
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  • 5. Microhydration shell structure in Cl2*-.nH2O clusters: A theoretical study.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2006 Aug 21; 125(7):074309. PubMed ID: 16942341
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  • 6. Global minimum-energy structure and spectroscopic properties of I2(*-) x n H2O clusters: a Monte Carlo simulated annealing study.
    Pathak AK, Mukherjee T, Maity DK.
    Chemphyschem; 2010 Jan 18; 11(1):220-8. PubMed ID: 19943270
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  • 7. Structure, energy, and IR spectra of I2*-.nH2O clusters (n=1-8): a theoretical study.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2007 Jan 21; 126(3):034301. PubMed ID: 17249865
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  • 9. Accuracy and limitations of second-order many-body perturbation theory for predicting vertical detachment energies of solvated-electron clusters.
    Herbert JM, Head-Gordon M.
    Phys Chem Chem Phys; 2006 Jan 07; 8(1):68-78. PubMed ID: 16482246
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  • 10. Microhydration of X2 gas (X = Cl, Br, and I): a theoretical study on X2.nH2O clusters (n = 1-8).
    Pathak AK, Mukherjee T, Maity DK.
    J Phys Chem A; 2008 Jan 31; 112(4):744-51. PubMed ID: 18179186
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  • 12. Vertical detachment energy of I2*- . nCO2 clusters (n=1-8): experiment versus theory.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2008 Dec 28; 129(24):246101. PubMed ID: 19123535
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  • 13. Calculation of electron detachment energies for water cluster anions: an appraisal of electronic structure methods, with application to (H2O)20- AND (H2O)24-.
    Herbert JM, Head-Gordon M.
    J Phys Chem A; 2005 Jun 16; 109(23):5217-29. PubMed ID: 16833879
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  • 14. Ab initio and DFT studies on methanol-water clusters.
    Mandal A, Prakash M, Kumar RM, Parthasarathi R, Subramanian V.
    J Phys Chem A; 2010 Feb 18; 114(6):2250-8. PubMed ID: 20104906
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  • 15. Conformationally averaged vertical detachment energy of finite size NO3(-)·nH2O clusters: a route connecting few to many.
    Pathak AK, Samanta AK, Maity DK.
    Phys Chem Chem Phys; 2011 Apr 07; 13(13):6315-8. PubMed ID: 21359396
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  • 19. Structural and electronic properties of Si(n), Si(n)-, and PSi(n-1) clusters (2 < or = n < or = 13): Theoretical investigation based on ab initio molecular orbital theory.
    Nigam S, Majumder C, Kulshreshtha SK.
    J Chem Phys; 2006 Aug 21; 125(7):074303. PubMed ID: 16942335
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