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M

Maria Cristina Menziani

universita di modena e reggio emilia

H指数:43

被引数:6,871

浏览量:0

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The effect of ionic strength on PETase enzymes: An experimental and computational study

PROTEIN SCIENCE

IF5.2

2025-12-270

OAAI

Protonation dynamics of confined ethanol–water mixtures in H-ZSM-5 from machine learning-driven metadynamics

H-ZSM-5中受限乙醇-水混合物的质子化动力学：基于机器学习驱动的元动力学研究

Journal of Catalysis

IF6.5

2025-12-230

OAAI

Structure and Energetics of PET-Hydrolyzing Enzyme Complexes: A Systematic Comparison from Molecular Dynamics Simulations

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-10-210

PRE

Blueshift of the C=N stretching vibration of acetonitrile in solution: computational and experimental study

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-06-201

OA

Quantum-Chemistry Study of the Hydrolysis Reaction Profile in Borate Networks: A Benchmark

IF4.6

2024-03-091

OAAI

Erratum for a new self-consistent empirical potential model for multicomponent borate and borosilicate glasses (May, https://doi.org/10.1111/jace.19158, 2023

JOURNAL OF THE AMERICAN CERAMIC SOCIETY

IF3.8

2023-05-041

OAAI

Can DFT Calculations Provide Useful Information for SERS Applications?

IF4.6

2023-01-068

OAAI

DFT and TD-DFT Study of the Chemical Effect in the SERS Spectra of Piperidine Adsorbed on Silver Colloidal Nanoparticles

IF4.3

2022-08-244

OAAI

A new self-consistent empirical potential model for multicomponent borate and borosilicate glasses

JOURNAL OF THE AMERICAN CERAMIC SOCIETY

IF3.8

2022-08-1516

OA

Biasing crystallization in fused silica: An assessment of optimal metadynamics parameters

熔融石英中的偏置结晶: 最佳元动力学参数的评估

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-05-164

OA

Exploring the crystallization path of lithium disilicate through metadynamics simulations

PHYSICAL REVIEW MATERIALS

IF3.4

2021-07-3014

PRE

Exploring Translocator Protein (TSPO) Medicinal Chemistry: An Approach for Targeting Radionuclides and Boron Atoms to Mitochondria

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2021-07-134

PREAI

Toward the understanding of crystallization, mechanical properties and reactivity of multicomponent bioactive glasses

ACTA MATERIALIA

IF9.3

2021-07-0118

PREAI

Improved empirical force field for multicomponent oxide glasses and crystals

PHYSICAL REVIEW MATERIALS

IF3.4

2021-04-0728

OAAI

O2 Activation over Ag-Decorated CeO2(111) and TiO2(110) Surfaces: A Theoretical Comparative Investigation

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-11-1525

PREAI

Disclosing crystal nucleation mechanism in lithium disilicate glass through molecular dynamics simulations and free-energy calculations

SCIENTIFIC REPORTS

IF3.9

2020-10-2023

OAAI

Computational Insights into the Binding of Monolayer-Capped Gold Nanoparticles onto Amyloid-β Fibrils

ACS CHEMICAL NEUROSCIENCE

IF3.9

2020-09-1421

PREAI

Unraveling the complexity of amyloid polymorphism using gold nanoparticles and cryo-EM

使用金纳米颗粒和冷冻EM解开淀粉样蛋白多态性的复杂性

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2020-03-1152

OAAI

Structural origins of the Mixed Alkali Effect in Alkali Aluminosilicate Glasses: Molecular Dynamics Study and its Assessment

SCIENTIFIC REPORTS

IF3.9

2020-02-1939

OAAI

H2 Dissociation and Water Evolution on Silver-Decorated CeO2(111): A Hybrid Density Functional Theory Investigation

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-10-0311

PREAI