| Ultraviolet stabilizers of the 2-(2'-hydroxyphenyl)-1, 3, 5-triazine class: Structural and spectroscopic characterization GJ Stueber, M Kieninger, H Schettler, W Busch, B Goeller, J Franke, ... The Journal of Physical Chemistry 99 (25), 10097-10109, 1995 | 92 | 1995 |
| Tautomeric forms of 2-thiobarbituric acid as studied in the solid, in polar solutions, and on gold nanoparticles E Mendez, MF Cerdá, JS Gancheff, J Torres, C Kremer, J Castiglioni, ... The Journal of Physical Chemistry C 111 (8), 3369-3383, 2007 | 75 | 2007 |
| Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical: a discrepancy between theory and experiment PA Denis, M Kieninger, ON Ventura, RE Cachau, GHF Diercksen Chemical physics letters 365 (5-6), 440-449, 2002 | 53 | 2002 |
| The FO2 radical: a new success of density functional theory ON Ventura, M Kieninger Chemical physics letters 245 (4-5), 488-497, 1995 | 52 | 1995 |
| Density functional studies on hydrogen‐bonded complexes M Kieninger, S Suhai International journal of quantum chemistry 52 (2), 465-478, 1994 | 51 | 1994 |
| Density functional investigations of carboxyl free radicals: Formyloxyl, acetyloxyl, and benzoyloxyl radicals M Kieninger, ON Ventura, S Suhai International journal of quantum chemistry 70 (2), 253-267, 1998 | 39 | 1998 |
| Density Functional Theory Is More Accurate Than Coupled-Cluster Theory in the Study of the Thermochemistry of Species Containing the F− O Bond ON Ventura, M Kieninger, RE Cachau The Journal of Physical Chemistry A 103 (1), 147-151, 1999 | 36 | 1999 |
| The chemical Hamiltonian approach in density functional theory M Kieninger, S Suhai, I Mayer Chemical physics letters 230 (6), 485-490, 1994 | 31 | 1994 |
| A discrepancy between experimental and theoretical thermochemical characterization of some oxygen fluorides M Kieninger, M Segovia, ON Ventura Chemical physics letters 287 (5-6), 597-600, 1998 | 30 | 1998 |
| Density functional computational thermochemistry: determination of the enthalpy of formation of sulfine, CH2 S O, at room temperature ON Ventura, M Kieninger, RE Cachau, S Suhai Chemical Physics Letters 329 (1-2), 145-153, 2000 | 26 | 2000 |
| Density functional theory: a useful tool for the study of free radicals ON Ventura, M Kieninger, K Irving Advances in Quantum Chemistry 28, 293-309, 1997 | 24 | 1997 |
| Density functional and coupled-cluster calculations of isodesmic reactions involving fluorine oxides ON Ventura, RE Cachau, M Kieninger Chemical physics letters 301 (3-4), 331-335, 1999 | 23 | 1999 |
| Density functional computational thermochemistry: solving the discrepancy between MO and DFT calculations on the enthalpy of formation of sulfine, CH2 S O ON Ventura, M Kieninger, PA Denis, RE Cachau Chemical physics letters 355 (3-4), 207-213, 2002 | 21 | 2002 |
| Density functional computational thermochemistry: Isomerization of sulfine and its enthalpy of formation ON Ventura, M Kieninger, PA Denis, RE Cachau The Journal of Physical Chemistry A 105 (43), 9912-9916, 2001 | 20 | 2001 |
| Equilibrium structure of the carbon dioxide-water complex in the gas phase: an ab initio and density functional study M Kieninger, ON Ventura Journal of Molecular Structure: THEOCHEM 390 (1-3), 157-167, 1997 | 20 | 1997 |
| Conformational and energetic properties of the ammonia dimer—comparison of post‐Hartree—Fock and density functional methods M Kieninger, S Suhai Journal of computational chemistry 17 (13), 1508-1519, 1996 | 20 | 1996 |
| Density functional studies of internal rotation: formamide as a prototype of the peptide bond M Kieninger, S Suhai Journal of molecular structure 375 (1-2), 181-188, 1996 | 19 | 1996 |
| A new perspective in the lewis acid catalyzed ring opening of epoxides. Theoretical study of some complexes of methanol, acetic acid, dimethyl ether, diethyl ether, and … P Saenz, RE Cachau, G Seoane, M Kieninger, ON Ventura The Journal of Physical Chemistry A 110 (41), 11734-11751, 2006 | 17 | 2006 |
| Density functional and ab initio study of the free radical MgNC M Kieninger, K Irving, F Rivas-Silva, A Palma, ON Ventura Journal of Molecular Structure: THEOCHEM 422 (1-3), 133-141, 1998 | 16 | 1998 |
| Calculations of the infrared and Raman spectra of simple thiols and thiol–water complexes M Kieninger, ON Ventura International Journal of Quantum Chemistry 111 (7‐8), 1843-1857, 2011 | 14 | 2011 |
