المؤلفون: Nico Sanna, Costantino Zazza, Giovanni Chillemi, Elisabetta Pace, Francesco Cappelluti, Luigi Bencivenni, Malte Oppermann, Maurizio Benfatto, Majed Chergui

المصدر: Structural Dynamics, Vol 11, Iss 6, Pp 064101-064101-15 (2024)

مصطلحات موضوعية: Crystallography, QD901-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2329-7778

URL الوصول: https://doaj.org/article/ec93d5bb536b4a21a4d30930894e3d86

المؤلفون: Leonardo Guidoni, Luigi Bencivenni, Francesco Cappelluti

المصدر: Physical Chemistry Chemical Physics. 22:16655-16664

مصطلحات موضوعية: Physics, 010304 chemical physics, Spin states, General Physics and Astronomy, 010402 general chemistry, 01 natural sciences, Molecular physics, Spin contamination, 0104 chemical sciences, symbols.namesake, 0103 physical sciences, Cluster (physics), symbols, Slater determinant, Density functional theory, Symmetry breaking, Physical and Theoretical Chemistry, Hamiltonian (quantum mechanics), Open shell

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee86cc41030f9a41485affb3bc89c846
https://doi.org/10.1039/d0cp01591a

المؤلفون: Francesco Trequattrini, Annalisa Paolone, Luigi Bencivenni, Lorenzo Gontrani, Oriele Palumbo

المصدر: ChemPhysChem (Internet) (2018). doi:10.1002/cphc.201800442
info:cnr-pdr/source/autori:Gontrani L.; Trequattrini F.; Palumbo O.; Bencivenni L.; Paolone A./titolo:New Experimental Evidences Regarding Conformational Equilibrium in Ammonium-Bis(trifluoromethanesulfonyl)imide Ionic Liquids/doi:10.1002%2Fcphc.201800442/rivista:ChemPhysChem (Internet)/anno:2018/pagina_da:/pagina_a:/intervallo_pagine:/volume

مصطلحات موضوعية: Materials science, Infrared spectroscopy, 02 engineering and technology, 01 natural sciences, Ion, ionic liquids, chemistry.chemical_compound, Molecular dynamics, Settore CHIM/02, 0103 physical sciences, Physical and Theoretical Chemistry, Imide, Conformational isomerism, Alkyl, chemistry.chemical_classification, 010304 chemical physics, Scattering, conformational analysis, TFSI, X-ray scattering, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, chemistry, force-field models, Ionic liquid, Physical chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88e7d05eba83e688d34ef742e8de5d1d
https://doi.org/10.1002/cphc.201800442

المؤلفون: Adriana Puiu, Luigi Bencivenni, Stella Nunziante Cesaro, Gianfranco Giubileo

المصدر: Applied Spectroscopy. 69:1472-1486

مصطلحات موضوعية: laser photoacoustic spectroscopy, Chemistry, Infrared, Analytical chemistry, Infrared spectroscopy, explosives, lpas, fourier transform infrared spectroscopy, ft-ir, density functional theory, Tetryl, Laser, law.invention, chemistry.chemical_compound, law, Fourier transform infrared spectroscopy, Spectroscopy, Absorption (electromagnetic radiation), Instrumentation, Photoacoustic spectroscopy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe62895cee713424f07236b998cf527a
https://doi.org/10.1366/14-07763

المؤلفون: Luigi Bencivenni, Enrico Bodo, Daniele Bovi, Marco Campetella, Leonardo Guidoni, Lorenzo Gontrani, Giancarlo Masci, Stefano Lupi, Fabio Ramondo, Luana Tanzi

المساهمون: Bencivenni, Luigi, Bodo, Enrico, Bovi, Daniele, Campetella, Marco, Guidoni, Leonardo, Gontrani, Lorenzo, Masci, Giancarlo, Lupi, Stefano, Ramondo, Fabio, Tanzi, Luana

وصف الملف: ELETTRONICO

Relation: ispartofbook:Book of Abstract - III CONGRESSO NAZIONALE DELLA DIVISIONE DI CHIMICA TEORICA E COMPUTAZIONALE DELLA SOCIETÀ CHIMICA ITALIANA; III Congresso Nazionale della Divisione di Chimica Teorica e Computazionale della Società Chimica Italiana; http://hdl.handle.net/11573/1067535

الاتاحة: http://hdl.handle.net/11573/1067535

المؤلفون: Luigi Bencivenni, Marco Campetella, Ruggero Caminiti, Leonardo Guidoni, Lorenzo Gontrani, Daniele Bovi

المصدر: The Journal of chemical physics. 145(2)

مصطلحات موضوعية: Absorption spectroscopy, Chemistry, Infrared, Hydrogen bond, hydrogen bonding, infrared spectra, normal modes, ionic liquids, chemical bonds, General Physics and Astronomy, Infrared spectroscopy, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, 0104 chemical sciences, Ion, Molecular dynamics, Settore CHIM/02, Ab initio quantum chemistry methods, Two-dimensional infrared spectroscopy, Physical and Theoretical Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0129e72d47bbe1d4b31f22d602dfa121
https://pubmed.ncbi.nlm.nih.gov/27421420

المؤلفون: Marco Bellagamba, Luigi Bencivenni, Leonardo Guidoni, Claudia Sadun, GONTRANI, LORENZO

المساهمون: Marco, Bellagamba, Luigi, Bencivenni, Gontrani, Lorenzo, Leonardo, Guidoni, Claudia, Sadun

مصطلحات موضوعية: 3-triazole liquid phase, x-ray diffraction, molecular dynamics and density functional calculation, tautomers

Time: 1, 2

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000319019200024; volume:24; issue:3; firstpage:933; lastpage:943; numberofpages:11; journal:STRUCTURAL CHEMISTRY; http://hdl.handle.net/11584/76710; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84879118932

الاتاحة: http://hdl.handle.net/11584/76710
https://doi.org/10.1007/s11224-013-0206-4

المؤلفون: Lorenzo Gontrani, Marco Campetella, A. Martino, Costantino Zazza, Luigi Bencivenni, S. Di Trapani, Ruggero Caminiti

المساهمون: Campetella, Marco, Bencivenni Luigi, Caminiti Ruggero, Zazza Costantino, Di Trapani Simone, Martino Antonio,Gontrani Lorenzo

مصطلحات موضوعية: Diffraction, oxiranes,X-Ray,Liquid, AIMD,FTIR, Work (thermodynamics), General Physics and Astronomy, 02 engineering and technology, Molecular dynamics, 01 natural sciences, DFT, Spectral line, chemistry.chemical_compound, Settore CHIM/02, Computational chemistry, ADXD, chloromethyl-oxirane, chloromethyl-thiirane, conformational stability, molecular dynamics, 0103 physical sciences, Conformational stability, Chloromethyl-thiirane, Physical and Theoretical Chemistry, Spectroscopy, Joint (geology), Quantum chemical, 010304 chemical physics, Chloromethyl-oxirane, 021001 nanoscience & nanotechnology, Thiirane, chemistry, 0210 nano-technology

وصف الملف: STAMPA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0c012a5eeeb077d6c46f79a9b7bd814c
http://hdl.handle.net/11585/644930

المؤلفون: Fabio Ramondo, A. Grandi, M. Spoliti, G. Perrone, Luigi Bencivenni, Andrea Pieretti

المصدر: Journal of Molecular Structure: THEOCHEM. 756:113-126

مصطلحات موضوعية: Argon, Binding energy, chemistry.chemical_element, Infrared spectroscopy, Condensed Matter Physics, Biochemistry, Molecular physics, Symmetry (physics), chemistry, Molecule, Density functional theory, Physical and Theoretical Chemistry, Spectroscopy, Ground state

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45d8ef471870b67bdf5ed1fdfcfd88f4
https://doi.org/10.1016/j.theochem.2005.07.021

المؤلفون: Massimiliano Aschi, Luigi Bencivenni, Costantino Zazza

المصدر: Chemical Physics Letters. 399:184-189

مصطلحات موضوعية: Valence (chemistry), Chemistry, Excited state, Photodissociation, Binding energy, Physics::Atomic and Molecular Clusters, General Physics and Astronomy, Molecule, Density functional theory, Singlet state, Physical and Theoretical Chemistry, Atomic physics, Gas phase

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a8712d7ebc2e149c10309191326d3fb
https://doi.org/10.1016/j.cplett.2004.10.012

المؤلفون: Stella Nunziante Cesaro, Luigi Bencivenni, S. Dobos, Andrea Pieretti

المصدر: Vibrational Spectroscopy. 36:57-63

مصطلحات موضوعية: chemistry.chemical_compound, Chromium, Laser ablation, Argon, chemistry, Inorganic chemistry, chemistry.chemical_element, Fourier transform infrared spectroscopy, Spectroscopy, Nitrogen, Stoichiometry, Carbon monoxide

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42b0522495cbee643d8f16f33582c0fb
https://doi.org/10.1016/j.vibspec.2004.02.010

المؤلفون: Massimiliano Aschi, Andrea Grandi, Luigi Bencivenni, Costantino Zazza

المصدر: Journal of Molecular Structure: THEOCHEM. 680:117-120

مصطلحات موضوعية: Aqueous solution, Orbital-free density functional theory, Chemistry, Thermodynamics, Time-dependent density functional theory, Condensed Matter Physics, Biochemistry, Polarizable continuum model, Hybrid functional, Physical chemistry, Molecule, Density functional theory, Singlet state, Physics::Chemical Physics, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7a396615986e273646b062a879a733a
https://doi.org/10.1016/j.theochem.2004.05.006

المؤلفون: Leonardo Guidoni, Luigi Bencivenni, Claudia Sadun, Paolo Ballirano, GONTRANI, LORENZO

المساهمون: Leonardo, Guidoni, Gontrani, Lorenzo, Luigi, Bencivenni, Claudia, Sadun, Paolo, Ballirano

Relation: info:eu-repo/semantics/altIdentifier/pmid/19086793; info:eu-repo/semantics/altIdentifier/wos/WOS:000262140100045; volume:113; issue:1; firstpage:353; lastpage:359; numberofpages:7; journal:JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY; http://hdl.handle.net/11584/89010; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-62149112206; http://www.scopus.com/inward/record.url?eid=2-s2.0-62149112206&partnerID=65&md5=552f4d6a352d23015285121dd5099ed5

الاتاحة: http://hdl.handle.net/11584/89010
https://doi.org/10.1021/jp809076t
http://www.scopus.com/inward/record.url?eid=2-s2.0-62149112206&partnerID=65&md5=552f4d6a352d23015285121dd5099ed5

المؤلفون: Simone Meloni, B. Paci, Luigi Bencivenni, Ruggero Caminiti, V. Rossi Albertini

المصدر: Journal of Applied Crystallography. 36:43-47

مصطلحات موضوعية: Diffraction, Superconductivity, Condensed Matter Physics, Structural Biology, High-temperature superconductivity, Laser ablation, Chemistry, business.industry, Bragg's law, Substrate (electronics), General Biochemistry, Genetics and Molecular Biology, NO, law.invention, Optics, law, Thin film, Energy-dispersive X-ray diffraction, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f615dd32c5bf2fb5cc63400c4f526c86
https://doi.org/10.1107/s0021889802018319

المؤلفون: Luigi Bencivenni, Lorenzo Gontrani, Francesca Leonelli, Marco Campetella, Ruggero Caminiti

مصطلحات موضوعية: Diffraction, liquids, Chemistry, Scattering, Molecular physics, molecular dynamics, Atomic and Molecular Physics, and Optics, Force field (chemistry), Spectral line, X-ray diffraction, Ionic liquids, Crystallography, Molecular dynamics, polarizable force field, Settore CHIM/02, Polarizability, ionic liquids, three-body force field, X-ray crystallography, protic ionic, Physical and Theoretical Chemistry, Multipole expansion

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8af268692acd06bd5ced7d0a1311e628
http://hdl.handle.net/11573/645284

المؤلفون: Nico Sanna, Andrea Pieretti, Luigi Bencivenni, Fabio Ramondo

المصدر: Scopus-Elsevier

مصطلحات موضوعية: chemistry.chemical_compound, Crystallography, Hydrogen, Hydrogen bond, Chemistry, Computational chemistry, Ab initio quantum chemistry methods, Intermolecular force, Infrared spectroscopy, chemistry.chemical_element, Uracil, Cooperativity, Thymine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20e6f0af161a60f540effc05eea0d01e
https://doi.org/10.1039/b002342f

المؤلفون: Claudia Sadun, Ruggero Caminiti, Luigi Bencivenni, Lorenzo Gontrani

المصدر: Chemical Physics Letters. 301:131-137

مصطلحات موضوعية: Diffraction, Dimer, Structure function, General Physics and Astronomy, Radial distribution, Molecular aggregation, chemistry.chemical_compound, Crystallography, Settore CHIM/02, chemistry, Chemical physics, Imidazole, Molecule, Physical and Theoretical Chemistry, Energy-dispersive X-ray diffraction

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::938418655febbd225ff9c92098e1f6bd
https://doi.org/10.1016/s0009-2614(99)00005-6

المؤلفون: S. Calvo Losada, Luigi Bencivenni, A. Pieretti, J.J. Quirante

المصدر: Chemical Physics Letters. 276:26-30

مصطلحات موضوعية: Acetic acid, chemistry.chemical_compound, chemistry, Computational chemistry, Ab initio, General Physics and Astronomy, Physical and Theoretical Chemistry, Pyrolysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0401be99fbac00118b9229659040cf12
https://doi.org/10.1016/s0009-2614(97)88030-x

المؤلفون: Fabio Ramondo, Stella Nunziante Cesaro, M. Spoliti, Luigi Bencivenni

المصدر: Journal of the Chemical Society, Perkin Transactions 2. :2445-2452

مصطلحات موضوعية: Crystal, Chemistry, Normal mode, Ab initio quantum chemistry methods, Ab initio, Physical chemistry, Molecule, Density functional theory, Physics::Chemical Physics, Spectroscopy, Molecular physics, Conformational isomerism

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::31a28ca92be0a8eba0efe3b2a5a9290f
https://doi.org/10.1039/a700991g

المؤلفون: Andrea Pieretti, N. Sanna, M. Spoliti, Luigi Bencivenni

المصدر: Electronic Journal of Theoretical Chemistry. 2:149-159

مصطلحات موضوعية: chemistry.chemical_compound, chemistry, Computational chemistry, Inorganic chemistry, Urea, Symmetry (physics)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3bb696243f3b58c2e71be0dc1fc3efc3
https://doi.org/10.1002/ejtc.49