Sfoglia per Chimica e Geologia
The consequences of improperly describing oscillator strengths beyond the electric dipole approximation
2015 Lestrange, Patrick J.; Egidi, Franco; Li, Xiaosong
Continuous Perception for Immersive Interaction and Computation in Molecular Sciences
2023 Lazzari, Federico
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
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