These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
43. Solvent Effects on Electronically Excited States: QM/Continuum Versus QM/Explicit Models. De Vetta M; Menger MFSJ; Nogueira JJ; González L J Phys Chem B; 2018 Mar; 122(11):2975-2984. PubMed ID: 29481750 [TBL] [Abstract][Full Text] [Related]
44. Hydrogen bonding and covalent effects in binding of cisplatin to purine bases: ab initio and atoms in molecules studies. Robertazzi A; Platts JA Inorg Chem; 2005 Jan; 44(2):267-74. PubMed ID: 15651872 [TBL] [Abstract][Full Text] [Related]
45. Geometry and solvent dependence of the electronic spectra of the amide group and consequences for peptide circular dichroism. Sebek J; Kejík Z; Bour P J Phys Chem A; 2006 Apr; 110(14):4702-11. PubMed ID: 16599437 [TBL] [Abstract][Full Text] [Related]
46. Multi-scale modeling of electronic spectra of three aromatic amino acids: importance of conformational averaging and explicit solute-solvent interactions. Štěpánek P; Bouř P Phys Chem Chem Phys; 2014 Oct; 16(38):20639-49. PubMed ID: 25158079 [TBL] [Abstract][Full Text] [Related]
47. The role of adenine excimers in the photophysics of oligonucleotides. Olaso-González G; Merchán M; Serrano-Andrés L J Am Chem Soc; 2009 Apr; 131(12):4368-77. PubMed ID: 19317507 [TBL] [Abstract][Full Text] [Related]
48. Interaction of low-energy electrons with the purine bases, nucleosides, and nucleotides of DNA. Winstead C; McKoy V J Chem Phys; 2006 Dec; 125(24):244302. PubMed ID: 17199346 [TBL] [Abstract][Full Text] [Related]
49. Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan. Guillaume M; Ruud K; Rizzo A; Monti S; Lin Z; Xu X J Phys Chem B; 2010 May; 114(19):6500-12. PubMed ID: 20420407 [TBL] [Abstract][Full Text] [Related]
50. Structural Sampling and Solvation Models for the Simulation of Electronic Spectra: Pyrazine as a Case Study. Tsuru S; Sharma B; Marx D; Hättig C J Chem Theory Comput; 2023 Apr; 19(8):2291-2303. PubMed ID: 36971352 [TBL] [Abstract][Full Text] [Related]
51. Nitrogen K-edge X-ray absorption near edge structure (XANES) spectra of purine-containing nucleotides in aqueous solution. Shimada H; Fukao T; Minami H; Ukai M; Fujii K; Yokoya A; Fukuda Y; Saitoh Y J Chem Phys; 2014 Aug; 141(5):055102. PubMed ID: 25106615 [TBL] [Abstract][Full Text] [Related]
52. Building up water-wire clusters: isomer-selective ultraviolet and infrared spectra of jet-cooled 2-aminopurine (H2O)n, n = 2 and 3. Lobsiger S; Sinha RK; Leutwyler S J Phys Chem B; 2013 Oct; 117(41):12410-21. PubMed ID: 24107005 [TBL] [Abstract][Full Text] [Related]
53. Solvent effects on IR and VCD spectra of helical peptides: DFT-based static spectral simulations with explicit water. Kubelka J; Huang R; Keiderling TA J Phys Chem B; 2005 Apr; 109(16):8231-43. PubMed ID: 16851962 [TBL] [Abstract][Full Text] [Related]
54. Vacuum-ultraviolet electronic circular dichroism of L-alanine in aqueous solution investigated by time-dependent density functional theory. Fukuyama T; Matsuo K; Gekko K J Phys Chem A; 2005 Aug; 109(31):6928-33. PubMed ID: 16834050 [TBL] [Abstract][Full Text] [Related]
55. Vibrational absorption and vibrational circular dichroism spectra of leucine in water under different pH conditions: hydrogen-bonding interactions with water. Poopari MR; Zhu P; Dezhahang Z; Xu Y J Chem Phys; 2012 Nov; 137(19):194308. PubMed ID: 23181307 [TBL] [Abstract][Full Text] [Related]
56. Hydrophobicities of the nucleic acid bases: distribution coefficients from water to cyclohexane. Shih P; Pedersen LG; Gibbs PR; Wolfenden R J Mol Biol; 1998 Jul; 280(3):421-30. PubMed ID: 9665846 [TBL] [Abstract][Full Text] [Related]
58. Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory. Andersen JH; Coriani S; Hättig C J Chem Theory Comput; 2023 Sep; 19(17):5977-5987. PubMed ID: 37650779 [TBL] [Abstract][Full Text] [Related]
59. On the bonding of first-row transition metal cations to guanine and adenine nucleobases. Noguera M; Branchadell V; Constantino E; Ríos-Font R; Sodupe M; Rodríguez-Santiago L J Phys Chem A; 2007 Oct; 111(39):9823-9. PubMed ID: 17760432 [TBL] [Abstract][Full Text] [Related]
60. Vibronic spectra of jet-cooled 2-aminopurine·H2O clusters studied by UV resonant two-photon ionization spectroscopy and quantum chemical calculations. Sinha RK; Lobsiger S; Trachsel M; Leutwyler S J Phys Chem A; 2011 Jun; 115(23):6208-17. PubMed ID: 21322622 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]