Theory - Revista - PHYSICAL CHEMISTRY CHEMICAL PHYSICS

1. I. de Luzuriaga, S. Elleuchi, K. Jarraya, E. Artacho, X. Lopez and A. Gil
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24, 11510 (2022)
Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules
PDF -Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules This is the author's version of the paper after peer review

2. A. Sinitsa, I. Lebedeva, Y. Polynskaya, D. De Oteyza, S. Ratkevich, A. Knizhnik, A. Popov, N. Poklonski and Y. Lozovik
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23, 425 (2021)
Transformation of a graphene nanoribbon into a hybrid 1D nanoobject with alternating double chains and polycyclic regions
PDF -Transformation of a graphene nanoribbon into a hybrid 1D nanoobject with alternating double chains and polycyclic regions This is the author's version of the paper after peer review

3. S. Ruiz-Barragan, D. Munoz-Santiburcio, S. Koerning and D. Marx
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22, 10833 (2020)
Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores

4. V. Kimmel
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21, 24643 (2019)
Interfacial phenomena in nanocapacitors with multifunctional oxides
PDF -Interfacial phenomena in nanocapacitors with multifunctional oxides This is the author's version of the paper after peer review

5. M. Manade, F. Vines, A. Gil and F. Illas
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20, 3819 (2018)
On the H-2 interactions with transition metal adatoms supported on graphene: a systematic density functional study

6. R. Escribano, E. Artacho, A. Kouchi, T. Hama, Y. Kimura, H. Hidaka and N. Watanabe
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19, 7280 (2017)
Simulations and spectra of water in CO matrices

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