Computation of photovoltaic and stability properties of hybrid organic-inorganic perovskites via convolutional neural networks

Theoretical Chemistry Accounts - 1/4/2022

10.1007/s00214-022-02875-9 View at source

• ISSN 1432881X

• iMarina

DFT performance in the IQA energy partition of small water clusters

Theoretical Chemistry Accounts - 1/1/2020

10.1007/s00214-019-2514-2 View at source

• ISSN 1432881X

• iMarina

Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density

Theoretical Chemistry Accounts - 1/5/2017

10.1007/s00214-017-2084-0 View at source

• ISSN 1432881X

• iMarina

Understanding the effect of mechanical strains on the catalytic activity of transition metals

Physical Chemistry Chemical Physics (p. 4832-4842) - 1/1/2022

10.1039/d1cp05436h View at source

• ISSN 14639076

• iMarina

The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

Physical Chemistry Chemical Physics (p. 26383-26390) - 1/1/2016

10.1039/c6cp04386k View at source

• ISSN 14639076

• iMarina

An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor

Physical Chemistry Chemical Physics (p. 1790-1797) - 1/1/2017

10.1039/c6cp07617c View at source

• ISSN 14639076

• iMarina

Hydrogen bond cooperativity and anticooperativity within the water hexamer

Physical Chemistry Chemical Physics (p. 19557-19566) - 1/1/2016

10.1039/c6cp00763e View at source

• ISSN 14639076

• iMarina

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde

Physical Chemistry Chemical Physics (p. 97-107) - 7/1/2017

10.1039/c6cp04877c View at source

• ISSN 14639076

• iMarina

The effect of elastic strains on the adsorption energy of H, O, and OH in transition metals

Physical Chemistry Chemical Physics (p. 21295-21306) - 1/1/2021

10.1039/d1cp03312c View at source

• ISSN 14639076

• iMarina

Atoms in molecules in real space: a fertile field for chemical bonding

Physical Chemistry Chemical Physics (p. 10231-10262) - 15/3/2023

10.1039/d2cp05540f

• ISSN 14639076

• iMarina

Applications of the quantum theory of atoms in molecules and the interacting quantum atoms methods to the study of hydrogen bonds

Advances In Quantum Chemical Topology Beyond Qtaim (p. 431-468) - 1/1/2022

10.1016/b978-0-323-90891-7.00010-4 View at source

• iMarina

Emergent Scalar and Vector Fields in Quantum Chemical Topology

APPLICATIONS OF TOPOLOGICAL METHODS IN MOLECULAR CHEMISTRY (p. 131-150) - 1/1/2016

10.1007/978-3-319-29022-5_6 View at source

• iMarina