Journal of Physical Chemistry A

Hrdina, Radim; Kapusta, Peter; Machalicky, Oldrich; Neprass, Milos; Zimmt, Matthew B.; Fidler, Vlastimil, Photophysics of 3-substituted benzanthrones: Substituent and solvent control of intersystem crossing. Journal of Physical Chemistry A 2003, 107(46), 9740 - 9746, 10.1021/jp035610a .

Kulhanek, Jiri; Pytela, Oldrich; Nevecna, Tat'jana; Otyepkova, Eva; Otyepka, Michal, Correlation of Dissociation Constants of 2- and 2,6-Substituted Anilines in Water by Methods Based on the Similarity Principle and Quantum-Chemistry Calculations. Journal of Physical Chemistry A 2003, 107(51), 11489 - 11496, 10.1021/jp022664w .

Michl, Josef; David, Donald E.; Carsky, Petr; Hrouda, Vojtech; Polasek, Martin; Antic, Dean, Cubic-grid Gaussian basis sets for electron-scattering calculations. 6. Applications to H, HO, and CH. Journal of Physical Chemistry A 1997, 101(20), 3754 - 3761.

Michl, Josef; David, Donald E.; Imhof, Roman; Antic, Dean, Conformational effects in photoelectron spectra of tetrasilanes. Journal of Physical Chemistry A 1997, 101(25), 4579 - 4586.

Havlas, Zdenek; Michl, Josef; Downing, John W., Spin - orbit coupling in biradicals. 2. Ab initio methodology and application to 1,1-biradicals: Carbene and silylene. Journal of Physical Chemistry A 1998, 102(28), 5681 - 5692.

Michl, Josef; Albinsson, Bo; Antic, Dean; Neumann, Frank, Conformes of n-Si5Me12: A Comparison of ab Initio and Molecular Mechanics Methods. Journal of Physical Chemistry A 1999, 103(14), 2184 - 2196, 10.1021/jp982920y .

Michl, Josef; Ottosson, Carl-Henrik, Conformers of n-SiMe: Ab initio, molecular mechanics, and additive increment methods. Journal of Physical Chemistry A 2000, 104(15), 3367 - 3380, 10.1021/jp994054a .

Michl, Josef; Magnera, Thomas F.; Zink, Robert, Transoid, ortho, and gauche conformers of n-SiCl: Raman and Mid-IR matrix-isolation spectra. Journal of Physical Chemistry A 2000, 104(16), 3829 - 3841.

Michl, Josef; Hoeweler, Udo; Fleischhauer, Joerg, MCD of nonaromatic cyclic π-electron systems. 3. The perimeter model for low-symmetry "unaromatic" and "ambiaromatic" molecules derived from 4N-electron [n]annulenes. Journal of Physical Chemistry A 2000, 104(33), 7762 - 7775.

Michl, Josef; Fleischhauer, Joerg, MCD of nonaromatic cyclic π-electron systems. 4. Explicit relations between molecular structure and spectra. Journal of Physical Chemistry A 2000, 104(33), 7776 - 7784.

Michl, Josef; Crespo, Ralil; Merchan, Manuela, Electronic excitation in a saturated chain: An MS-CASPT2 treatment of the anti conformer of n-tetrasilane. Journal of Physical Chemistry A 2000, 104(37), 8593 - 8599.

Michl, Josef; David, Donald E.; Ottosson, Carl-Henrik; Fogarty, Heather A.; Tsuji, Hayato; Ehara, Masahiro; Nakatsuji, Hiroshi; Tamao, Kohei, Peralkylated tetrasilanes: Conformational dependence of the photoelectron spectrum. Journal of Physical Chemistry A 2002, 106(10), 2369 - 2373, 10.1021/jp013458b .

Michl, Josef; McKee, Michael L., A possible reinterpretation of the photoelectron spectra of [CCl], [CBr], and [CI]: A role for quartet isodihalocarbene or dihalocarbene radical anions?. Journal of Physical Chemistry A 2002, 106(37), 8495 - 8497, 10.1021/jp021282n .

Michl, Josef; Merchan, Manuela; Piqueras, Mari Carmen; Crespo, Rauel, Conformational effects on the ultraviolet absorption spectrum of n-Tetrasilane: Multistate complete active space second-order perturbation theory treatment. Journal of Physical Chemistry A 2002, 106(42), 9868 - 9873, 10.1021/jp020460+ .

Michl, Josef; Piqueras, Mari Carmen; Crespo, Rauel, The transoid, ortho, and gauche conformers of decamethyl-n-tetrasilane, n-SiMe: Electronic transitions in the multistate complete active space second-order perturbation theory description. Journal of Physical Chemistry A 2003, 107(23), 4661 - 4668, 10.1021/jp022675p .

Michl, Josef; David, Donald E.; Tsuji, Hayato; Tamao, Kohei; Casher, Deborah L.; Sano, Atsushi; Katkevics, Martins; Toshimitsu, Akio; Kubota, Mari; Kobayashi, Tsunetoshi; Ottosson, C. Henrik, The disilane chromophore: Photoelectron and electronic spectra of hexaalkyldisilanes and 1,(n+2)-disila[n.n.n]propellanes. Journal of Physical Chemistry A 2003, 107(18), 3559 - 3566, 10.1021/jp027380q .

Michl, Josef; Ratner, Mark A.; Rempala, Pawel; Berlin, Yuri A.; Hutchison, Geoffrey R., Charge hopping in molecular wires as a sequence of electron-transfer reactions. Journal of Physical Chemistry A 2003, 107(19), 3970 - 3980, 10.1021/jp034225i .

Michl, Josef; Raabe, Gerhard; Hoeweler, Udo; Fleischhauer, Joerg; Spanget-Larsen, Jens, Magnetic Circular Dichroism of Nonaromatic Cyclic π-Electron Systems. 5. Biphenylene and Its Aza Analogues. Journal of Physical Chemistry A 2004, 108(15), 3225 - 3234, 10.1021/jp037806g .

Valasek, Michal; Pecka, Jaroslav; Michl, Josef; Pospisil, Lubomir; Fiedler, Jan; Rempala, Pawel; Funston, Alison; Kirby, James P.; Miller, John R.; Hromadova, Magdalena; Gal, Miroslav; Zawada, Zbigniew, One-electron reduction of an "extended viologen" p-phenylene-bis-4,4′-(1-aryl-2,6-diphenylpyridinium) dication. Journal of Physical Chemistry A 2005, 109(4), 10862 - 10869, 10.1021/jp053556n .

Michl, Josef; Kjaergaard, Thomas; Jansik, Branislav; Jorgensen, Poul; Coriani, Sonia, Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals. Journal of Physical Chemistry A 2007, 111(44), 11278 - 11286, 10.1021/jp071726l .

Michl, Josef; Carsky, Petr; Curik, Roman; Pezler, Barbara, Angular distributions for vibrationally inelastic nonresonant scattering of electrons by molecules. Journal of Physical Chemistry A 2007, 111(49), 12216 - 12228, 10.1021/jp073981b .

Michl, Josef; Piqueras, Mari Carmen; Crespo, Rauel, Interpretation of the electronic spectra of four disilanes. Journal of Physical Chemistry A 2008, 112(50), 13095 - 13101, 10.1021/jp804677v .

Michl, Josef; Tsuji, Hayato; Tamao, Kohei; Toshimitsu, Akio, UV, MCD, and LD spectra of a conformationally constrained ortho-tetrasilane: Support for the avoided crossing model of conformational effects on excited states. Journal of Physical Chemistry A 2001, 105(45), 10246 - 10248, 10.1021/jp010792z .

Stibor, Ivan; Cajan, Michal; Koca, Jaroslav, Computational studies on the stability of [Amide]Br complexes. Journal of Physical Chemistry A 1999, 103(19), 3778 - 3782.