200 related articles for article (PubMed ID: 14634999)
1. Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials.
Preuss M; Schmidt WG; Seino K; Furthmüller J; Bechstedt F
J Comput Chem; 2004 Jan; 25(1):112-22. PubMed ID: 14634999
[TBL] [Abstract][Full Text] [Related]
2. Accuracy and efficiency of atomic basis set methods versus plane wave calculations with ultrasoft pseudopotentials for DNA base molecules.
Pulay P; Saebo S; Malagoli M; Baker J
J Comput Chem; 2005 Apr; 26(6):599-605. PubMed ID: 15739195
[TBL] [Abstract][Full Text] [Related]
3. Excited states of DNA base pairs using long-range corrected time-dependent density functional theory.
Jensen L; Govind N
J Phys Chem A; 2009 Sep; 113(36):9761-5. PubMed ID: 19678692
[TBL] [Abstract][Full Text] [Related]
4. The electron affinities of the radicals formed by the loss of an aromatic hydrogen atom from adenine, guanine, cytosine, uracil, and thymine.
Chen ES; Chen EC; Sane N
Biochem Biophys Res Commun; 1998 May; 246(1):228-30. PubMed ID: 9600097
[TBL] [Abstract][Full Text] [Related]
5. DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine.
Maul R; Ortmann F; Preuss M; Hannewald K; Bechstedt F
J Comput Chem; 2007 Aug; 28(11):1817-33. PubMed ID: 17394241
[TBL] [Abstract][Full Text] [Related]
6. The electron affinities of deprotonated adenine, guanine, cytosine, uracil, and thymine.
Chen EC; Wiley JR; Chen ES
Nucleosides Nucleotides Nucleic Acids; 2008 May; 27(5):506-24. PubMed ID: 18569789
[TBL] [Abstract][Full Text] [Related]
7. Ab initio study of the ionization of the DNA bases: ionization potentials and excited states of the cations.
Cauët E; Dehareng D; Liévin J
J Phys Chem A; 2006 Jul; 110(29):9200-11. PubMed ID: 16854034
[TBL] [Abstract][Full Text] [Related]
8. Systematic quantum chemical study of DNA-base tautomers.
Piacenza M; Grimme S
J Comput Chem; 2004 Jan; 25(1):83-99. PubMed ID: 14634996
[TBL] [Abstract][Full Text] [Related]
9. First-principle molecular dynamics with ultrasoft pseudopotentials: parallel implementation and application to extended bioinorganic systems.
Giannozzi P; De Angelis F; Car R
J Chem Phys; 2004 Apr; 120(13):5903-15. PubMed ID: 15267472
[TBL] [Abstract][Full Text] [Related]
10. Accurate interaction energies of hydrogen-bonded nucleic acid base pairs.
Sponer J; Jurecka P; Hobza P
J Am Chem Soc; 2004 Aug; 126(32):10142-51. PubMed ID: 15303890
[TBL] [Abstract][Full Text] [Related]
11. Vibrational dynamics of DNA. I. Vibrational basis modes and couplings.
Lee C; Park KH; Cho M
J Chem Phys; 2006 Sep; 125(11):114508. PubMed ID: 16999491
[TBL] [Abstract][Full Text] [Related]
12. Binding of gold clusters with DNA base pairs: a density functional study of neutral and anionic GC-Aun and AT-Aun (n = 4, 8) complexes.
Kumar A; Mishra PC; Suhai S
J Phys Chem A; 2006 Jun; 110(24):7719-27. PubMed ID: 16774220
[TBL] [Abstract][Full Text] [Related]
13. A theoretical study of the chiroptical properties of molecules with isotopically engendered chirality.
Dierksen M; Grimme S
J Chem Phys; 2006 May; 124(17):174301. PubMed ID: 16689565
[TBL] [Abstract][Full Text] [Related]
14. The determination of absolute electron affinities of the purines and pyrimidines in DNA and RNA from reversible reduction potentials.
Wiley JR; Robinson JM; Ehdaie S; Chen EC; Chen ES; Wentworth WE
Biochem Biophys Res Commun; 1991 Oct; 180(2):841-5. PubMed ID: 1719971
[TBL] [Abstract][Full Text] [Related]
15. Chromophore/DNA interactions: femto- to nanosecond spectroscopy, NMR structure, and electron transfer theory.
von Feilitzsch T; Tuma J; Neubauer H; Verdier L; Haselsberger R; Feick R; Gurzadyan G; Voityuk AA; Griesinger C; Michel-Beyerle ME
J Phys Chem B; 2008 Jan; 112(3):973-89. PubMed ID: 18163608
[TBL] [Abstract][Full Text] [Related]
16. The triplet state of cytosine and its derivatives: electron impact and quantum chemical study.
Abouaf R; Pommier J; Dunet H; Quan P; Nam PC; Nguyen MT
J Chem Phys; 2004 Dec; 121(23):11668-74. PubMed ID: 15634133
[TBL] [Abstract][Full Text] [Related]
17. Adiabatic electron affinities of the polyhydrated adenine-thymine base pair: a density functional study.
Kumar A; Mishra PC; Suhai S
J Phys Chem A; 2005 May; 109(17):3971-9. PubMed ID: 16833718
[TBL] [Abstract][Full Text] [Related]
18. Ultrasoft pseudopotentials in time-dependent density-functional theory.
Walker B; Gebauer R
J Chem Phys; 2007 Oct; 127(16):164106. PubMed ID: 17979318
[TBL] [Abstract][Full Text] [Related]
19. The equilibrium structures, vibrational spectra, NLO and directional properties of transition dipole moments of diguanidinium arsenate monohydrate and diguanidinium phosphate monohydrate. The theoretical DFT calculations.
Drozd M
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Dec; 65(5):1069-86. PubMed ID: 16716645
[TBL] [Abstract][Full Text] [Related]
20. Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory.
Teale AM; Tozer DJ
J Chem Phys; 2005 Jan; 122(3):34101. PubMed ID: 15740186
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
