Bernardi F - Search Results

1

Quantum mechanical analysis of oxygenated and deoxygenated states of hemocyanin: theoretical clues for a plausible allosteric model of oxygen binding.

Fariselli P, Bottoni A, Bernardi F, Casadio R. Fariselli P, et al. Among authors: bernardi f. Protein Sci. 1999 Jul;8(7):1546-50. doi: 10.1110/ps.8.7.1546. Protein Sci. 1999. PMID: 10422845 Free PMC article.

2

MCSCF/MP2 Study of the Cheletropic Addition of Singlet and Triplet CF(2) and C(OH)(2) to the Ethene Double Bond.

Bernardi F, Bottoni A, Canepa C, Olivucci M, Robb MA, Tonachini G. Bernardi F, et al. J Org Chem. 1997 Apr 4;62(7):2018-2025. doi: 10.1021/jo960860r. J Org Chem. 1997. PMID: 11671505

3

Do supra-antara paths really exist for 2 + 2 cycloaddition reactions? Analytical computation of the MC-SCF Hessians for transition states of ethylene with ethylene, singlet oxygen, and ketene.

Bernardi F, Bottoni A, Olivucci M, Robb MA, Schlegel HB, Tonachini G. Bernardi F, et al. J Am Chem Soc. 1988 Aug 1;110(18):5993-5. doi: 10.1021/ja00226a011. J Am Chem Soc. 1988. PMID: 22148771 No abstract available.

4

Solvent effects on the vibrational activity and photodynamics of the green fluorescent protein chromophore: a quantum-chemical study.

Altoe' P, Bernardi F, Garavelli M, Orlandi G, Negri F. Altoe' P, et al. Among authors: bernardi f. J Am Chem Soc. 2005 Mar 23;127(11):3952-63. doi: 10.1021/ja0451517. J Am Chem Soc. 2005. PMID: 15771532

5

Rates and Equilibria of the Michael-Type Addition of Benzenethiol to 2-Cyclopenten-1-ones.

van Axel Castelli V, Bernardi F, Dalla Cort A, Mandolini L, Rossi I, Schiaffino L. van Axel Castelli V, et al. Among authors: bernardi f. J Org Chem. 1999 Oct 29;64(22):8122-8126. doi: 10.1021/jo9906882. J Org Chem. 1999. PMID: 11674725

6

Excited-state singlet manifold and oscillatory features of a nonatetraeniminium retinal chromophore model.

Cembran A, Bernardi F, Olivucci M, Garavelli M. Cembran A, et al. Among authors: bernardi f. J Am Chem Soc. 2003 Oct 15;125(41):12509-19. doi: 10.1021/ja030215j. J Am Chem Soc. 2003. PMID: 14531695

7

Counterion controlled photoisomerization of retinal chromophore models: a computational investigation.

Cembran A, Bernardi F, Olivucci M, Garavelli M. Cembran A, et al. Among authors: bernardi f. J Am Chem Soc. 2004 Dec 15;126(49):16018-37. doi: 10.1021/ja048782+. J Am Chem Soc. 2004. PMID: 15584736

8

Photoisomerization mechanism of 11-cis-locked artificial retinal chromophores: acceleration and primary photoproduct assignment.

De Vico L, Garavelli M, Bernardi F, Olivucci M. De Vico L, et al. Among authors: bernardi f. J Am Chem Soc. 2005 Mar 2;127(8):2433-42. doi: 10.1021/ja045747u. J Am Chem Soc. 2005. PMID: 15724998

9

Reaction path analysis of the "tunable" photoisomerization selectivity of free and locked retinal chromophores.

De Vico L, Page CS, Garavelli M, Bernardi F, Basosi R, Olivucci M. De Vico L, et al. Among authors: bernardi f. J Am Chem Soc. 2002 Apr 17;124(15):4124-34. doi: 10.1021/ja017502c. J Am Chem Soc. 2002. PMID: 11942852

10

Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbons.

Garavelli M, Bernardi F, Cembran A, Castaño O, Frutos LM, Merchán M, Olivucci M. Garavelli M, et al. Among authors: bernardi f. J Am Chem Soc. 2002 Nov 20;124(46):13770-89. doi: 10.1021/ja020741v. J Am Chem Soc. 2002. PMID: 12431107

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