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1977 1
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Page 1
High precision variational calculations for the Born-Oppenheimer energies of the ground state of the hydrogen molecule.
Sims JS, Hagstrom SA. Sims JS, et al. J Chem Phys. 2006 Mar 7;124(9):94101. doi: 10.1063/1.2173250. J Chem Phys. 2006. PMID: 16526839
The nonrelativistic energy is calculated to be -1.174 475 714 220(1) hartree at R = 1.4 bohr, which is four orders of magnitude better than the best previous Hylleraas calculation, that of Wolniewicz [J. Chem. Phys. 103, 1792 (1995)]. This result agrees well with the best …
The nonrelativistic energy is calculated to be -1.174 475 714 220(1) hartree at R = 1.4 bohr, which is four orders of magnitude better than …
Mechanisms of carboplatin- and paclitaxel-dependent induction of premature senescence and pro-cancerogenic conversion of normal peritoneal mesothelium and fibroblasts.
Rutecki S, Pakuła-Iwańska M, Leśniewska-Bocianowska A, Matuszewska J, Rychlewski D, Uruski P, Stryczyński Ł, Naumowicz E, Szubert S, Tykarski A, Mikuła-Pietrasik J, Książek K. Rutecki S, et al. J Pathol. 2024 Feb;262(2):198-211. doi: 10.1002/path.6223. Epub 2023 Nov 9. J Pathol. 2024. PMID: 37941520
Palindromes in proteins.
Giel-Pietraszuk M, Hoffmann M, Dolecka S, Rychlewski J, Barciszewski J. Giel-Pietraszuk M, et al. J Protein Chem. 2003 Feb;22(2):109-13. doi: 10.1023/a:1023454111924. J Protein Chem. 2003. PMID: 12760415
Energy and density analysis of the H2 molecule from the united atom to dissociation: the 3Sigma(g)+ and 3Sigma(u)+ states.
Corongiu G, Clementi E. Corongiu G, et al. J Chem Phys. 2009 Nov 14;131(18):184306. doi: 10.1063/1.3259551. J Chem Phys. 2009. PMID: 19916603
The first 14 (3)Sigma(g)(+) and the first 15 (3)Sigma(u)(+) states of the H(2) molecule are computed with full configuration interaction both from Hartree-Fock molecular orbitals and Heitler-London atomic orbitals within the Born-Oppenheimer approximation, following recent studie …
The first 14 (3)Sigma(g)(+) and the first 15 (3)Sigma(u)(+) states of the H(2) molecule are computed with full configuration interaction bot …
Analysis of structure and function of tenascin-C.
Pas J, Wyszko E, Rolle K, Rychlewski L, Nowak S, Zukiel R, Barciszewski J. Pas J, et al. Int J Biochem Cell Biol. 2006;38(9):1594-602. doi: 10.1016/j.biocel.2006.03.017. Epub 2006 Apr 18. Int J Biochem Cell Biol. 2006. PMID: 16698307
Detailed mechanism of squalene epoxidase inhibition by terbinafine.
Nowosielski M, Hoffmann M, Wyrwicz LS, Stepniak P, Plewczynski DM, Lazniewski M, Ginalski K, Rychlewski L. Nowosielski M, et al. J Chem Inf Model. 2011 Feb 28;51(2):455-62. doi: 10.1021/ci100403b. Epub 2011 Jan 13. J Chem Inf Model. 2011. PMID: 21229992
42 results