未登录

G

Giuseppe M. Lombardo

università degli studi di catania

H指数:15

被引数:831

个人简介

暂无内容

教育背景

暂无内容

工作经历

暂无内容

荣誉奖项

暂无内容

Ex-Post Evaluation of Computational Forecast Accuracy: The Potassium Ion Coordination in a Catecholic Compound

事后评估计算预测精度：儿茶酚化合物中钾离子的配位

Inorganics 2025, Vol. 13, Page 385

IF3

2025-11-240

OA

Structural, morphological, and modeling studies of N-(benzoyloxy) benzamide as a specific inhibitor of Type II inosine monophosphate dehydrogenase

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2024-05-012

OAAI

A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug

结合实验和计算机表征，以突出潜在新药的其他结构特征和特性

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2017-10-014

PREAI

X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups

DALTON TRANSACTIONS

IF3.3

2017-01-0113

PREAI

False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2014-12-019

PREAI

Experimental and theoretical characterization of N-(diethylcarbamothioyl)benzamide triclinic polymorph

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2013-09-0111

PREAI

An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties

DALTON TRANSACTIONS

IF3.3

2012-01-0133

PREAI

From the X-rays to a reliable low cost computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2011-05-0114

PREAI

Thermal effects on mixed metal (Zn/Al) layered double hydroxides: Direct modeling of the X-ray powder diffraction line shape through molecular dynamics simulations

CHEMISTRY OF MATERIALS

IF7

2008-08-0760

PREAI

Molecular dynamics (MD) simulations and large-angle X-ray scattering (LAXS) studies of the solid-state structure and assembly of isotactic (R)-poly(2,2′-dioxy-1,1′-binaphthyl-)phosphazene in the bulk state and in the cast film

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2004-07-2220

PREAI

Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2004-06-2217

OAAI

Elucidation of the chiral recognition mechanism of cinchona alkaloid carbamate-type receptors for 3,5-dinitrobenzoyl amino acids

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-06-28151

PREAI

Modeling and analysis of the X-ray powder diffraction structure of γ-zirconium phosphates pillared with butyl chains through molecular dynamics simulations

CHEMISTRY OF MATERIALS

IF7

2001-12-0510

PREAI

Structural features and molecular assembly of amorphous phosphazenic materials in the bulk-combined theoretical and experimental techniques:: Tris-(2,2′-dioxy-1,1′-binaphthyl)cyclotriphosphazene

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2001-04-0110

PREAI

Derivation of force field parameters, and force field and quantum mechanical studies of layered α- and γ-zirconium phosphates

INORGANIC CHEMISTRY

IF4.7

1999-08-2810

PREAI

Molecular modeling and large-angle X-ray scattering studies of the structure of semicrystalline poly[bis(phenoxy)phosphazene]

CHEMISTRY OF MATERIALS

IF7

1999-05-078

PREAI

Mesomeric and π-moments in some hetero-conjugated compounds

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

1998-02-012

PREAI

Molecular dynamics simulations combined with large angle X-ray scattering technique for the determination of the structure, conformation, and conformational dynamics of polyphosphazenes in amorphous phase: Study of poly[di(4-methylphenoxy)phosphazene]

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

1997-03-0526

PREAI

Interfacial diffusion controlled reactions with time varying absorbing domains

JOURNAL OF CHEMICAL PHYSICS

IF3.1

1996-11-081

OAAI