Quantum mechanical study of transition metal hydrides: Comparison of determined molecular properties with experimental data.

Autor: Vavrečka A; Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic., Fatková K; Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic., Burda JV; Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic.

Publikováno v: Journal of computational chemistry [J Comput Chem] 2024 Jul 30; Vol. 45 (20), pp. 1727-1736. Date of Electronic Publication: 2024 Apr 10.

Quantum-Chemical Study of the Profiles of Reactions that Form Pyrrole Anion N-Adducts with CS2 and CO2.

Autor: Kobychev, V.¹ gimli@cc.isu.ru, Vitkovskaya, N.¹, Zaitseva, I.¹, Trofimov, B.²

Publikováno v: Journal of Structural Chemistry. Nov2004, Vol. 45 Issue 6, p940-944. 5p.

Double Bond Migration Mechanism in Allyl Systems Involving the Hydroxide Ion. 1. Gas-Phase and Born–Onsager Models.

Autor: Kobychev, V. B.¹ gimli@cc.isu.ru, Pavlova, N. V.¹

Publikováno v: Journal of Structural Chemistry. Jan/Feb2004, Vol. 45 Issue 1, p12-19. 8p.

Quantum-Chemical Study of Structural, Spectral, and Electrooptical Parameters of Fluorosilanes SiH[sub 4 – ][sub x]F[sub x](x=0–4).

Autor: Ignatov, S. K., Sennikov, P. G., Razuvaev, A. G., Simdyanov, I. V., Tokhadze, K. G.

Publikováno v: Optics & Spectroscopy. May2001, Vol. 90 Issue 5, p654. 10p.

Photoionization mass spectrometry of NH2OH: Heats of formation of HNO+ and NOH+.

Autor: Kutina, R. E., Goodman, G. L., Berkowitz, J.

Publikováno v: Journal of Chemical Physics; Aug1982, Vol. 77 Issue 4, p1664-1676, 13p