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M

Monica de Simone

University of Trieste
H指数:31
被引数:3,834
浏览量:0

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Decoding orbital interactions in H-bonded melamine networks by combining electron spectroscopy and DFT

通过结合电子能谱和DFT解码氢键联三聚氰胺网络中的轨道相互作用

Physical Chemistry Chemical Physics
IF2.9
2026-09-020
PRE
Iulia Emilia Brumboiu Corresponding Author; Cesare Grazioli; Matuš Stredansky; Teng Zhang; Monica de Simone; Marcello Coreno; Carla Puglia; Barbara Brena; Valeria Lanzilotto Corresponding Author
Shaping covalent triazine frameworks into films and membranes: A review of bottom-up strategies

将共价三嗪框架加工成薄膜和膜：自下而上策略的综述

Materials Today Chemistry
IF6.7
2026-06-010
OAAI
Caivano, Ilaria; Guarnaccio, Ambra; Grazioli, Cesare; de Simone, Monica; Lanzilotto, Valeria
Advancing soft X-ray microscopy with diffractive metalenses: Experimental design and initial results

利用衍射金属镜推动软X射线显微镜的发展：实验设计与初步结果

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
IF1.4
2025-11-010
OAAI
Ebrahimpour, Zeinab; Coreno, Marcello; Dabagov, Sultan; de Simone, Monica; Mazuritskiy, Mikhail; Mohamed, Awad E. A.; Rezvani, Javad; Zuccaro, Fabio; Marcelli, Augusto
The low-lying electronic states of 4H-pyran-4-thione; a photoionization and vacuum ultraviolet absorption study, with interpretation by configuration interaction and density functional calculations for the ionic and singlet states
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2025-01-150
OA
Palmer, Michael H.; Kivimaki, Antti; Hoffmann, Soren Vronning; Jones, Nykola C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Aitken, R. Alan; Patterson, Iain L. J.; Perrault, Loelia
Core and valence photoelectron spectroscopy of a series of substituted disulfides
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2024-10-020
PRE
McGhee, H. G.; Totani, R.; Plekan, O.; Coreno, M.; de Simone, M.; Mumtaz, A.; Singh, S.; Schroeder, B. C.; Curchod, B. F. E.; Ingle, R. A.
The ultraviolet and vacuum ultraviolet absorption spectrum of gamma-pyrone; the singlet states studied by configuration interaction and density functional calculations
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2024-02-052
OA
Palmer, Michael H.; Hoffmann, Soren Vronning; Jones, Nykola C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Aitken, R. Alan; Perrault, Loelia; Patterson, Iain L. J.
Evidence for efficient anchoring in nitroxyl radical thin films: an experimental XPS/NEXAFS and theoretical DFT/TD-DFT study
JOURNAL OF MATERIALS CHEMISTRY C
IF5.1
2024-01-010
OA
Totani, Roberta; Ljubic, Ivan; Mehl, Sascha L.; Kalinovych, Viacheslav; Jugovac, Matteo; Bonano, Gabriele; Ciavardini, Alessandra; Grazioli, Cesare; Galdenzi, Federico; D'Addato, Sergio; de Simone, Monica; Sheverdyaeva, Polina M.; Moras, Paolo; Tsud, Nataliya; Coreno, Marcello
High-level studies of the singlet states of quadricyclane, including analysis of a new experimental vacuum ultraviolet absorption spectrum by configuration interaction and density functional calculations
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2023-06-157
OA
Palmer, Michael H. H.; Hoffmann, Soren Vronning; Jones, Nykola C. C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Aitken, R. Alan; Peureux, Coralyse
Adsorption and Dissociation of R-Methyl p-Tolyl Sulfoxide on Au(111)
ACS OMEGA
IF4.3
2023-04-260
OAAI
Satta, Mauro; Zema, Nicola; Turchini, Stefano; Franchi, Stefano; Contini, Giorgio; Ciavardini, Alessandra; Grazioli, Cesare; Coreno, Marcello; de Simone, Monica; Tomellini, Massimo; Piccirillo, Susanna
The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2023-01-036
OA
Palmer, Michael H.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Jones, Nykola C.; Hoffmann, Soren Vronning; Aitken, R. Alan; Sonecha, Dheirya K.
The excited states of azulene: A study of the vibrational energy levels for the lower ππ*-valence states by configuration interaction and density functional calculations, and theoretical studies of the Rydberg states
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2022-10-203
OA
Palmer, Michael H.; Jones, Nykola C.; Hoffmann, Soren Vronning; Aitken, R. Alan; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Patterson, Iain L. J.
The ground and ionized states of azulene: A combined study of the vibrational energy levels by photoionization, configuration interaction, and density functional calculations
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2022-02-114
OA
Palmer, Michael H.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Jones, Nykola C.; Hoffmann, Soren Vronning; Aitken, R. Alan
m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions
JOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
2022-02-087
PRE
Zhang, Teng; Grazioli, Cesare; Guarnaccio, Ambra; Brumboiu, Iulia Emilia; Lanzilotto, Valeria; Johansson, Fredrik O. L.; Beranova, Klara; Coreno, Marcello; de Simone, Monica; Brena, Barbara; Puglia, Carla
Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap
JOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
2022-01-1716
OAAI
Zhang, Teng; Svensson, Pamela H. W.; Brumboiu, Iulia Emilia; Lanzilotto, Valeria; Grazioli, Cesare; Guarnaccio, Ambra; Johansson, Fredrik O. L.; Beranova, Klara; Coreno, Marcello; de Simone, Monica; Floreano, Luca; Cossaro, Albano; Brena, Barbara; Puglia, Carla
The vacuum ultraviolet absorption spectrum of norbornadiene: Vibrational analysis of the singlet and triplet valence states of norbornadiene by configuration interaction and density functional calculations
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2021-07-2010
OAAI
Palmer, Michael H.; Hoffmann, Soren Vronning; Jones, Nykola C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Aitken, R. Alan
High-level studies of the ionic states of norbornadiene and quadricyclane, including analysis of new experimental photoelectron spectra by configuration interaction and coupled cluster calculations
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2020-11-3014
OAAI
Palmer, Michael H.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Aitken, R. Alan; Hoffmann, Soren Vronning; Jones, Nykola C.; Peureux, Coralyse
The vacuum ultraviolet spectrum of cyclohepta-1, 3, 5-triene: Analysis of the singlet and triplet excited states by ab initio and density functional methods
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2020-08-037
OAAI
Palmer, Michael H.; Hoffmann, Soren Vronning; Jones, Nykola C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Aitken, R. Alan
S 2p and P 2p Core Level Spectroscopy of PPT Ambipolar Material and Its Building Block Moieties
JOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
2020-06-155
OAAI
Bernes, E.; Fronzoni, G.; Stener, M.; Guarnaccio, A.; Zhang, T.; Grazioli, C.; Johansson, F. O. L.; Coreno, M.; de Simone, M.; Puglia, C.; Toffoli, D.
PPT Isolated Molecule and Its Building Block Moieties Studied by C 1s and O 1s Gas Phase X-ray Photoelectron and Photoabsorption Spectroscopies
JOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
2020-04-103
PREAI
Guarnaccio, Ambra; Zhang, Teng; Grazioli, Cesare; Johansson, Fredrik O. L.; Coreno, Marcello; de Simone, Monica; Fronzoni, Giovanna; Toffoli, Daniele; Bernes, Elisa; Puglia, Carla
The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2020-04-0918
OAAI
Palmer, Michael H.; Aitken, R. Alan; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Hoffmann, Soren Vronning; Jones, Nykola C.

研究方向

暂未获取到该数据
M
Marcello Coreno
H 指数:48论文数:451被引数:8,114
C
Cesare Grazioli
H 指数:30论文数:180被引数:4,014
S
Søren Vrønning Hoffmann
H 指数:41论文数:421被引数:7,482
N
Nykola C. Jones
H 指数:30论文数:289被引数:3,658
M
Michael H. Palmer
H 指数:36论文数:425被引数:4,928
张
张腾
H 指数:28论文数:247被引数:2,979
C
Carla Puglia
H 指数:24论文数:95被引数:2,238
R
R. A. Aitken
H 指数:23论文数:1,197被引数:2,747
A
Alberto Baiardi
H 指数:25论文数:82被引数:3,304
B
Barbara Brena
H 指数:31论文数:136被引数:3,233