| 1 |
An ab initio and dynamics study of the photodissociation of nitric acid HNO3
Nonella M, Suter HU, Huber JR
Chemical Physics Letters, 487(1-3), 28, 2010 |
| 2 |
Predissociation via Conformational Change: Photodissociation of N,N-Dimethylnitrosamine in the S-1 State
Nonella M, Suter HU, Huber JR
Journal of Physical Chemistry A, 114(50), 13011, 2010 |
| 3 |
IR spectra of phosphate ions in aqueous solution: Predictions of a DFT/MM approach compared with observations
Klahn M, Mathias G, Kotting C, Nonella M, Schlitter J, Gerwert K, Tavan P
Journal of Physical Chemistry A, 108(29), 6186, 2004 |
| 4 |
A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water
Mathias G, Egwolf B, Nonella M, Tavan P
Journal of Chemical Physics, 118(24), 10847, 2003 |
| 5 |
Infrared spectrum of p-benzoquinone in water obtained from a QM/MM hybrid molecular dynamics simulation
Nonella M, Mathias G, Tavan P
Journal of Physical Chemistry A, 107(41), 8638, 2003 |
| 6 |
Structures and vibrational frequencies of the quinones in Rb. sphaeroides derived by a combined density functional/molecular mechanics approach
Nonella M, Mathias G, Eichinger M, Tavan P
Journal of Physical Chemistry B, 107(1), 316, 2003 |
| 7 |
Vibrational analysis of carbonyl modes in different stages of light-induced cyclopyrimidine dimer repair reactions
Schmitz M, Tavan P, Nonella M
Chemical Physics Letters, 349(3-4), 342, 2001 |
| 8 |
Electrostatic protein-chromophore interactions promote the all-trans -> 13-cis isomerization of the protonated retinal Schiff base in bacteriorhodopsin: An ab initio CASSCF/MRCI study
Nonella M
Journal of Physical Chemistry B, 104(47), 11379, 2000 |
| 9 |
A generalized resonance model for substituted 1,4-benzoquinones
Nonella M
Journal of Physical Chemistry A, 103(35), 7069, 1999 |
| 10 |
Formation of phenolate anion-counterion complexes can explain the vibrational properties of the phenolate anion in solution
Nonella M, Suter HU
Journal of Physical Chemistry A, 103(39), 7867, 1999 |
