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134 related items for PubMed ID: 25514198

  • 1. From the determination of the accurate equilibrium structure of 1-methylthymine by gas electron diffraction and coupled cluster computations to the observation of methylation and flexibility effects in pyrimidine nucleobases.
    Vogt N, Marochkin II, Rykov AN.
    J Phys Chem A; 2015 Jan 08; 119(1):152-9. PubMed ID: 25514198
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  • 2. Interplay of experiment and theory: determination of an accurate equilibrium structure of 1-methyluracil by the gas electron diffraction method and coupled-cluster computations.
    Vogt N, Marochkin II, Rykov AN, Dorofeeva OV.
    J Phys Chem A; 2013 Nov 07; 117(44):11374-81. PubMed ID: 24168752
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  • 4. Molecular structure of 9H-adenine tautomer: gas-phase electron diffraction and quantum-chemical studies.
    Vogt N, Dorofeeva OV, Sipachev VA, Rykov AN.
    J Phys Chem A; 2009 Dec 10; 113(49):13816-23. PubMed ID: 19863126
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  • 5. Accurate Determination of Equilibrium Structure of 3-Aminophthalonitrile by Gas Electron Diffraction and Coupled-Cluster Computations: Structural Effects Due to Intramolecular Charge Transfer.
    Vogt N, Savelyev DS, Giricheva NI, Islyaikin MK, Girichev GV.
    J Phys Chem A; 2016 Nov 10; 120(44):8853-8861. PubMed ID: 27797521
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  • 6. Experiment and theory at the convergence limit: accurate equilibrium structure of picolinic acid by gas-phase electron diffraction and coupled-cluster computations.
    Vogt N, Marochkin II, Rykov AN.
    Phys Chem Chem Phys; 2018 Apr 18; 20(15):9787-9795. PubMed ID: 29564453
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  • 8. Accurate equilibrium structure of 3-aminophthalimide from gas electron diffraction and coupled-cluster computations and diverse structural effects due to electron density transfer.
    Vogt N, Savelev D, Giricheva NI, Girichev GV.
    Phys Chem Chem Phys; 2020 Dec 16; 22(47):27539-27546. PubMed ID: 33179653
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  • 9. True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment.
    Jurecka P, Hobza P.
    J Am Chem Soc; 2003 Dec 17; 125(50):15608-13. PubMed ID: 14664608
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  • 10. Molecular structure and conformational composition of 1,3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants, and results of theoretical calculations. Ideal gas thermodynamic properties of 1,3-dihydroxyacetone.
    Dorofeeva OV, Vogt N, Vogt J, Popik MV, Rykov AN, Vilkov LV.
    J Phys Chem A; 2007 Jul 19; 111(28):6434-42. PubMed ID: 17595068
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  • 11. Molecular structure and benzene ring deformation of three cyanobenzenes from gas-phase electron diffraction and quantum chemical calculations.
    Campanelli AR, Domenicano A, Ramondo F, Hargittai I.
    J Phys Chem A; 2008 Oct 30; 112(43):10998-1008. PubMed ID: 18834088
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  • 12. Comparison of gas phase intrinsic properties of cytosine and thymine nucleobases with their O-alkyl adducts: different hydrogen bonding preferences for thymine versus O-alkyl thymine.
    Aliakbar Tehrani Z, Fattahi A.
    J Mol Model; 2013 Aug 30; 19(8):2993-3005. PubMed ID: 23564326
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  • 13. Flexibility of the saturated five-membered ring in 2,5-pyrrolidinedione (succinimide): electron diffraction and quantum-chemical studies with use of vibrational spectroscopy data.
    Vogt N, Khaikin LS, Grikina OE, Karasev NM, Vogt J, Vilkov LV.
    J Phys Chem A; 2009 Feb 05; 113(5):931-7. PubMed ID: 19123844
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  • 17. Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations.
    Dorofeeva OV, Ferenets AV, Karasev NM, Vilkov LV, Oberhammer H.
    J Phys Chem A; 2008 Jun 05; 112(22):5002-9. PubMed ID: 18461918
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  • 19. Uracil and thymine reactivity in the gas phase: the S(N)2 reaction and implications for electron delocalization in leaving groups.
    Zhachkina A, Lee JK.
    J Am Chem Soc; 2009 Dec 30; 131(51):18376-85. PubMed ID: 19928991
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  • 20. Ab initio investigation of the methylation and hydration effects on the electronic spectra of uracil and thymine.
    Etinski M, Marian CM.
    Phys Chem Chem Phys; 2010 May 21; 12(19):4915-23. PubMed ID: 20445899
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