386 related articles for article (PubMed ID: 11948579)
1. An ab initio theoretical study of electronic structure and properties of 2'-deoxyguanosine in gas phase and aqueous media.
Mishra SK; Mishra PC
J Comput Chem; 2002 Apr; 23(5):530-40. PubMed ID: 11948579
[TBL] [Abstract][Full Text] [Related]
2. An ab initio study of electronic structure and spectra of 8-bromoguanine: a comparative study with guanine.
Mishra SK; Mishra PC
Spectrochim Acta A Mol Biomol Spectrosc; 2001 Oct; 57(12):2433-50. PubMed ID: 11767837
[TBL] [Abstract][Full Text] [Related]
3. Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. guanine: surprising stabilization of rare tautomers in aqueous solution.
Hanus M; Ryjácek F; Kabelác M; Kubar T; Bogdan TV; Trygubenko SA; Hobza P
J Am Chem Soc; 2003 Jun; 125(25):7678-88. PubMed ID: 12812509
[TBL] [Abstract][Full Text] [Related]
4. Excited state proton transfer in guanine in the gas phase and in water solution: a theoretical study.
Shukla MK; Leszczynski J
J Phys Chem A; 2005 Sep; 109(34):7775-80. PubMed ID: 16834154
[TBL] [Abstract][Full Text] [Related]
5. Ab-initio and density functional study of L- and D-forms of alanine and serine in gas phase and bulk aqueous medium.
Upadhyay DM; Rai AK; Rai DK; Singh AN; Kumar A
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):909-18. PubMed ID: 16872882
[TBL] [Abstract][Full Text] [Related]
6. Structural interpretation of J coupling constants in guanosine and deoxyguanosine: modeling the effects of sugar pucker, backbone conformation, and base pairing.
Vokácová Z; Bickelhaupt FM; Sponer J; Sychrovský V
J Phys Chem A; 2009 Jul; 113(29):8379-86. PubMed ID: 19569693
[TBL] [Abstract][Full Text] [Related]
7. 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; 109(29):14205-18. PubMed ID: 16852784
[TBL] [Abstract][Full Text] [Related]
8. An ab initio and density functional theory study of keto-enol equilibria of hydroxycyclopropenone in gas and aqueous solution phase.
Paine SW; Kresge AJ; Salam A
J Phys Chem A; 2005 May; 109(18):4149-53. PubMed ID: 16833739
[TBL] [Abstract][Full Text] [Related]
9. Electronic transitions of guanine tautomers, their stacked dimers, trimers and sodium complexes.
Kushwaha PS; Kumar A; Mishra PC
Spectrochim Acta A Mol Biomol Spectrosc; 2004 Feb; 60(3):719-28. PubMed ID: 14747099
[TBL] [Abstract][Full Text] [Related]
10. Ab initio studies of aspartic acid conformers in gas phase and in solution.
Chen M; Lin Z
J Chem Phys; 2007 Oct; 127(15):154314. PubMed ID: 17949156
[TBL] [Abstract][Full Text] [Related]
11. Ab initio study of 2,4-substituted azolidines. II. Amino-imino tautomerism of 2-aminothiazolidine-4-one and 4-aminothiazolidine-2-one in water solution.
Enchev V; Markova N; Angelova S
J Phys Chem A; 2005 Oct; 109(39):8904-13. PubMed ID: 16834294
[TBL] [Abstract][Full Text] [Related]
12. Mutagenic product formation due to reaction of guanine radical cation with nitrogen dioxide.
Agnihotri N; Mishra PC
J Phys Chem B; 2009 Mar; 113(10):3129-38. PubMed ID: 19708266
[TBL] [Abstract][Full Text] [Related]
13. Formation of 8-nitroguanine due to reaction between guanyl radical and nitrogen dioxide: catalytic role of hydration.
Agnihotri N; Mishra PC
J Phys Chem B; 2010 Jun; 114(21):7391-404. PubMed ID: 20450217
[TBL] [Abstract][Full Text] [Related]
14. 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; 113(30):10409-20. PubMed ID: 19719287
[TBL] [Abstract][Full Text] [Related]
15. Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Phi, Psi) energy maps and conformers in the gas phase, ether, and water.
Wang ZX; Duan Y
J Comput Chem; 2004 Nov; 25(14):1699-716. PubMed ID: 15362127
[TBL] [Abstract][Full Text] [Related]
16. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
Nagy PI; Erhardt PW
J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
[TBL] [Abstract][Full Text] [Related]
17. Microsolvation of thiosulfuric acid and its tautomeric anions [HSSO(3)](-) and [SSO(2)(OH)](-) studied by B3LYP-PCM and G3X(MP2) calculations.
Steudel R; Steudel Y
J Phys Chem A; 2009 Sep; 113(36):9920-33. PubMed ID: 19685866
[TBL] [Abstract][Full Text] [Related]
18. Addition reaction of adamantylideneadamantane with Br2 and 2Br2: a computational study.
Islam SM; Poirier RA
J Phys Chem A; 2008 Jan; 112(1):152-9. PubMed ID: 18069807
[TBL] [Abstract][Full Text] [Related]
19. 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; 125(50):15608-13. PubMed ID: 14664608
[TBL] [Abstract][Full Text] [Related]
20. Theoretical conformational analysis for neurotransmitters in the gas phase and in aqueous solution. Norepinephrine.
Nagy PI; Alagona G; Ghio C; Takács-Novák K
J Am Chem Soc; 2003 Mar; 125(9):2770-85. PubMed ID: 12603166
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
