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P

Paolo Umari

University of Padua

H指数:32

被引数:3.4万

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Detailed mechanism of a DNA/RNA nucleobase substituting bridging ligand in diruthenium(ii,iii) and dirhodium(ii,ii) tetraacetato paddlewheel complexes: protonation of the leaving acetate is crucial

DALTON TRANSACTIONS

IF3.3

2025-01-010

OA

Deterministic and Faster GW Calculations with a Reduced Number of Valence States: O(N 2 ln N) Scaling in the Plane-Waves Formalism

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-11-190

PRE

Dimolybdenum (II,II) paddlewheel complexes bearing non-steroidal anti-inflammatory drug ligands: Insights into the chemico-physical profile and first biological assessment

JOURNAL OF INORGANIC BIOCHEMISTRY

IF3.2

2024-11-010

OAAI

Trifurcated Splitting of Water Droplets on Engineered Lithium Niobate Surfaces

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2024-01-093

OAAI

Photoelectrochemical C-H Activation Through a Quinacridone Dye Enabling Proton-Coupled Electron Transfer

通过喹吖啶酮染料实现质子耦合电子转移的光电化学c-h活化

IF6.6

2023-01-053

PRE

Inclusion of infrared dielectric screening in the GW method from polaron energies to charge mobilities

NPJ COMPUTATIONAL MATERIALS

IF11.9

2022-07-011

OA

Optical van-der-Waals forces in molecules: from electronic Bethe-Salpeter calculations to the many-body dispersion model

NATURE COMMUNICATIONS

IF15.7

2022-02-1014

OAAI

Optical detection of the susceptibility tensor in two-dimensional crystals

COMMUNICATIONS PHYSICS

IF5.8

2021-09-2331

OA

Bethe-Salpeter equation approach with electron-phonon coupling for exciton binding energies

PHYSICAL REVIEW B

IF3.7

2021-02-0817

PREAI

Surface susceptibility and conductivity of MoS2 and WSe2 monolayers: A first-principles and ellipsometry characterization

PHYSICAL REVIEW B

IF3.7

2020-01-1338

OA

Electronic structure of MAPbI3 and MAPbCl3: importance of band alignment

SCIENTIFIC REPORTS

IF3.9

2019-10-2280

OAAI

SIMPLE code: Optical properties with optimal basis functions

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2019-07-0127

OAAI

Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-04-1831

OAAI

Large-scale GW-BSE calculations with N3 scaling: Excitonic effects in dye-sensitized solar cells

PHYSICAL REVIEW B

IF3.7

2017-02-1037

OAAI

Chlorine Incorporation in the CH3NH3PbI3 Perovskite: Small Concentration, Big Effect

INORGANIC CHEMISTRY

IF4.7

2016-09-2643

PREAI

Detailed analysis of plastic shear in the Raman spectra of SiO2 glass

SiO2玻璃拉曼光谱中塑性剪切的详细分析

JOURNAL OF NON-CRYSTALLINE SOLIDS

IF3.5

2015-11-0129

PREAI

Microscopic theory and quantum simulation of atomic heat transport

IF18.4

2015-10-1997

PREAI

First-principles investigation of organic photovoltaic materials C60, C70, [C60]PCBM, and bis-[C60]PCBM using a many-body G0W0-Lanczos approach

PHYSICAL REVIEW B

IF3.7

2015-06-0425

OAAI

Electronic and optical properties of mixed Sn-Pb organohalide perovskites: a first principles investigation

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2015-01-01179

PREAI

Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules

PHYSICAL REVIEW B

IF3.7

2014-10-0612

OAAI