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.
118 related articles for article (PubMed ID: 12375982)
41. A complete assignment of the vibrational spectra of sucrose in aqueous medium based on the SQM methodology and SCRF calculations. Brizuela AB; Castillo MV; Raschi AB; Davies L; Romano E; Brandán SA Carbohydr Res; 2014 Mar; 388():112-24. PubMed ID: 24632216 [TBL] [Abstract][Full Text] [Related]
42. H2O3 as a reactive oxygen species: formation of 8-oxoguanine from its reaction with guanine. Shukla PK; Mishra PC J Phys Chem B; 2007 May; 111(17):4603-15. PubMed ID: 17417902 [TBL] [Abstract][Full Text] [Related]
43. Computational study of the deamination of 8-oxoguanine. Uddin KM; Poirier RA J Phys Chem B; 2011 Jul; 115(29):9151-9. PubMed ID: 21678968 [TBL] [Abstract][Full Text] [Related]
44. BEP-Like Correction of Nonequilibrium Thermodynamic Parameters of the Solvent-Assisted Reactions: The DFT and Ovchinnikov MY; Khursan SL J Phys Chem A; 2021 Sep; 125(34):7369-7381. PubMed ID: 34410143 [TBL] [Abstract][Full Text] [Related]
45. Dimethylselenide as a probe for reactions of halogenated alkoxyl radicals in aqueous solution. Degradation of dichloro- and dibromomethane. Makogon O; Flyunt R; Tobien T; Naumov S; Bonifacić M J Phys Chem A; 2008 Jul; 112(26):5908-16. PubMed ID: 18540662 [TBL] [Abstract][Full Text] [Related]
46. Electronic structures of cephalosporins and penicillins. 4. Modeling acylation by the beta-lactam ring. Boyd DB; Hermann RB; Presti DE; Marsh MM J Med Chem; 1975 Apr; 18(4):408-17. PubMed ID: 1121009 [TBL] [Abstract][Full Text] [Related]
47. Determinants of regioselectivity and chemoselectivity in fosfomycin resistance protein FosA from QM/MM calculations. Liao RZ; Thiel W J Phys Chem B; 2013 Feb; 117(5):1326-36. PubMed ID: 23320732 [TBL] [Abstract][Full Text] [Related]
48. Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding. Katkova EV; Onufriev AV; Aguilar B; Sulimov VB J Mol Graph Model; 2017 Mar; 72():70-80. PubMed ID: 28064081 [TBL] [Abstract][Full Text] [Related]
49. A computational study on the mechanism for the chemical fixation of nitric oxide leading to 1,2,3-oxadiazole 3-oxide. Wu Y; Xue Y; Xie D; Yan G J Org Chem; 2005 Jun; 70(13):5045-54. PubMed ID: 15960504 [TBL] [Abstract][Full Text] [Related]
50. The onset of calcium carbonate nucleation: a density functional theory molecular dynamics and hybrid microsolvation/continuum study. Di Tommaso D; de Leeuw NH J Phys Chem B; 2008 Jun; 112(23):6965-75. PubMed ID: 18476732 [TBL] [Abstract][Full Text] [Related]
51. Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water. Manzoni V; Lyra ML; Coutinho K; Canuto S J Chem Phys; 2011 Oct; 135(14):144103. PubMed ID: 22010694 [TBL] [Abstract][Full Text] [Related]
52. Predicting the energy of the water exchange reaction and free energy of solvation for the uranyl ion in aqueous solution. Gutowski KE; Dixon DA J Phys Chem A; 2006 Jul; 110(28):8840-56. PubMed ID: 16836448 [TBL] [Abstract][Full Text] [Related]
53. Cooperative effect of solvent in the neutral hydration of ketenimine: an ab initio study using the hybrid cluster/continuum model. Sun XM; Wei XG; Wu XP; Ren Y; Wong NB; Li WK J Phys Chem A; 2010 Jan; 114(1):595-602. PubMed ID: 20000561 [TBL] [Abstract][Full Text] [Related]
54. Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study. Honarparvar B; Pawar SA; Alves CN; Lameira J; Maguire GE; Silva JR; Govender T; Kruger HG J Biomed Sci; 2015 Feb; 22(1):15. PubMed ID: 25889635 [TBL] [Abstract][Full Text] [Related]
55. DFT study on the nucleophilic addition reaction of water and ammonia to the thymine radical cation. Heo J; Kim NJ J Phys Chem A; 2007 Sep; 111(36):8857-63. PubMed ID: 17711269 [TBL] [Abstract][Full Text] [Related]
56. Density functional theory study of uranium(VI) aquo chloro complexes in aqueous solution. Bühl M; Sieffert N; Golubnychiy V; Wipff G J Phys Chem A; 2008 Mar; 112(11):2428-36. PubMed ID: 18269268 [TBL] [Abstract][Full Text] [Related]
57. N-Heterocyclic Carbene-Catalyzed Ring Opening Polymerization of ε-Caprolactone with and without Alcohol Initiators: Insights from Theory and Experiment. Jones GO; Chang YA; Horn HW; Acharya AK; Rice JE; Hedrick JL; Waymouth RM J Phys Chem B; 2015 Apr; 119(17):5728-37. PubMed ID: 25848823 [TBL] [Abstract][Full Text] [Related]
58. 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]
59. Mechanistic insights into ring-opening and decarboxylation of 2-pyrones in liquid water and tetrahydrofuran. Chia M; Haider MA; Pollock G; Kraus GA; Neurock M; Dumesic JA J Am Chem Soc; 2013 Apr; 135(15):5699-708. PubMed ID: 23517240 [TBL] [Abstract][Full Text] [Related]