Sfoglia per Chimica e Geologia
Continuum solvation approaches to vibrational properties
2007 Cappelli, Chiara
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems
2023 Giovannini, Tommaso; Cappelli, Chiara
Copper nano-architecture topical cream for the accelerated recovery of burnt skin
2023 Ermini, M. L.; Summa, M.; Zamborlin, Agata; Frusca, V.; Mapanao, Ana Katrina; Mugnaioli, E.; Bertorelli, R.; Voliani, Valerio
Core and valence electrons in atom-by-atom descriptions of molecules
1999 Fliszar, A.; Vauthier, E. C.; Barone, Vincenzo
Coriolis couplings in variational computations of vibrational spectra beyond the harmonic approximation: implementation and validation
2004 P., Carbonniere; Barone, Vincenzo
Correct Modeling of Cisplatin: a Paradigmatic Case
2017 Tasinato, Nicola; Puzzarini, Cristina; Barone, Vincenzo
Correcting the experimental enthalpies of formation of some members of the biologically significant sulfenic acids family
2022 Ventura, Oscar N; Segovia, Marc; Vega-Teijido, Mauricio; Katz, Aline; Kieninger, Martina; Tasinato, Nicola; Salta, Zoi
Correction to Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules
2016 Piccardo, Matteo; Penocchio, Emanuele; Puzzarini, Cristina; Biczysko, Malgorzata; Barone, Vincenzo
Correction to “Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures”
2023 Lafiosca, Piero; Giovannini, Tommaso; Benzi, Michele; Cappelli, Chiara
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models
2017 Høyvik, Ida-Marie; Myhre, Rolf Heilemann; Koch, Henrik
Correlation of attack and recoil angles for the Li +HF reaction : an exact quantum mechanical study at low and high total angular momentum
2008 Skouteris, Dimitrios; Crocchianti, Stefano; Lagana, Antonio
The Cotton - Mouton effect of liquid water. Part II: The semi-continuum model
1998 Ruud, Kenneth; Ågren, Hans; Dahle, Pål; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Koch, Henrik; Sylvester-Hvid, Kristian O.; Mikkelsen, Kurt V.
The Cotton--Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution
2003 Cappelli, Chiara; A., Rizzo; Mennucci, B; J., Tomasi; R., Cammi; G. L. J. A., Rikken; R., Mathevet; C., Rizzo
A coupled cluster calculation of the spectrum of urea
2001 de Meras, Amjs; Cuesta, Ig; Koch, H
Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes
2007 Fernández, Berta; Pedersen, Thomas Bondo; Sánchez de Merás, Alfredo; Koch, Henrik
Coupled cluster calculations of the vertical excitation energies of tetracyanoethylene
2003 Garcia-Cuesta, I.; Sánchez de Merás, Alfredo M. J.; Koch, Henrik
Coupled cluster energy derivatives. Analytic Hessian for the closed-shell coupled cluster singles and doubles wave function: Theory and applications
1990 Koch, Henrik; Jensen, Hans Jørgen Aa; Jørgensen, Poul; Helgaker, Trygve; Scuseria, Gustavo E.; Schaefer III, Henry F.
Coupled cluster response calculation of natural chiroptical spectra
1999 Pedersen, Thomas Bondo; Koch, Henrik; Ruud, Kenneth
Coupled cluster response functions
1990 Koch, Henrik; Jørgensen, Poul
Coupled cluster response functions revisited
1997 Pedersen, Thomas Bondo; Koch, Henrik
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