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Wavelength-Dependent Ultrafast Charge Carrier Separation in the WO3/BiVO4 Coupled System
Free accessBASE | 2017|Keywords: Settore CHIM/02 - Chimica Fisica -
Dynamics of Photogenerted Charge carriers in WO3/BiVO4 Heterojunction Photoanodes
Free accessBASE | 2015|Keywords: Settore CHIM/02 - Chimica Fisica -
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
Free accessBASE | 2020|Keywords: Settore CHIM/02 - Chimica Fisica -
Polarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: the QM/FQFμ model
Free accessBASE | 2019|Keywords: Settore CHIM/02 - Chimica Fisica -
Breaking the Coupled Cluster Barrier for Machine Learned Potentials of Large Molecules: The Case of 15-atom Acetylacetone
Free accessBASE | 2021|Keywords: Settore CHIM/02 - Chimica Fisica -
VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra
Free accessBASE | 2017|Keywords: Settore CHIM/02 - Chimica Fisica -
An efficient algorithm for Cholesky decomposition of electron repulsion integrals
Free accessBASE | 2019|Keywords: Settore CHIM/02 - Chimica Fisica -
Elusive Coordination of the Ag+Ion in Aqueous Solution: Evidence for a Linear Structure
Free accessBASE | 2020|Keywords: Settore CHIM/02 - Chimica Fisica -
Bioconjugation strategy for cell surface labelling with gold nanostructures designed for highly localized pH measurement
Free accessBASE | 2018|Keywords: Settore CHIM/02 - Chimica Fisica -
New and Efficient Implementation of CC3
Free accessBASE | 2021|Keywords: Settore CHIM/02 - Chimica Fisica -
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties
Free accessBASE | 2021|Keywords: Settore CHIM/02 - Chimica Fisica -
Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal
Free accessBASE | 2020|Keywords: Settore CHIM/02 - Chimica Fisica -
Sol–gel synthesis of CaTiO3:Pr3+ red phosphors : tailoring the synthetic parameters for luminescent and afterglow applications
Free accessBASE | 2017|Keywords: Settore CHIM/02 - Chimica Fisica -
In search of phosphorus in astronomical environments : the reaction between the CP radical and methanimine
Free accessBASE | 2021|Keywords: Settore CHIM/02 - Chimica Fisica -
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Free accessBASE | 2019|Keywords: Settore CHIM/02 - Chimica Fisica -
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm
Free accessBASE | 2020|Keywords: Settore CHIM/02 - Chimica Fisica -
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes
Free accessBASE | 2017|Keywords: Settore CHIM/02 - Chimica Fisica -
Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations
Free accessBASE | 2020|Keywords: Settore CHIM/02 - Chimica Fisica -
Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex
Free accessBASE | 2018|Keywords: Settore CHIM/02 - Chimica Fisica -
A molecular twist on hydrophobicity
Free accessBASE | 2021|Keywords: Settore CHIM/02 - Chimica Fisica
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