BICZYSKO, MALGORZATA AGNIESZKA
 Distribuzione geografica
Continente #
NA - Nord America 553
EU - Europa 242
AS - Asia 123
Totale 918
Nazione #
US - Stati Uniti d'America 541
SE - Svezia 92
CN - Cina 67
SG - Singapore 55
IE - Irlanda 35
FI - Finlandia 34
DE - Germania 28
IT - Italia 25
CA - Canada 12
UA - Ucraina 11
NL - Olanda 9
GB - Regno Unito 5
CH - Svizzera 2
IQ - Iraq 1
RU - Federazione Russa 1
Totale 918
Città #
Chandler 140
Millbury 49
Jacksonville 43
Singapore 40
Princeton 34
Nanjing 23
Ashburn 14
Wilmington 14
Kronberg 11
Ottawa 11
Woodbridge 11
Boardman 10
Nanchang 10
Amsterdam 9
Boston 9
Hebei 8
Santa Clara 8
Jiaxing 6
Naples 6
Norwalk 6
Falls Church 5
Munich 5
Shenyang 5
Tianjin 5
Changsha 4
Beijing 3
Cologne 3
Redmond 2
Rome 2
Seattle 2
Ann Arbor 1
Baghdad 1
Changchun 1
Chernogolovka 1
Cosenza 1
Dublin 1
Edinburgh 1
Gallatin 1
Indiana 1
Kunming 1
La Plaine 1
Lanzhou 1
Los Angeles 1
Milan 1
Napoli 1
Sandston 1
Scarborough 1
Scuola 1
Washington 1
Zurich 1
Totale 518
Nome #
On the properties of microsolvated molecules in the ground (S0) and excited (S1) states: The anisole-ammonia 1:1 complex 59
Approcci computazionali integrati per simulazioni di processi molecolari. Sviluppi ed applicazioni per lo studio di sistemi molecolari di interesse biologico 42
General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra 38
Integrated computational approaches for ground and excited state studies for molecular systems of biological interest 36
Extending the Range of Computational Spectroscopy by QM/MM Approaches: Time-Dependent and Time-Independent Routes 36
Magnetic properties of nitroxide spin-probes: reliable account of molecular motions and non specific solvent effects by time dependent and time-independent approaches 35
Prediction of Molecular Properties for Systems of Biological Interests 34
Accurate ground and excited state studies for molecular systems of biological interest. 33
Environmental Effects in Computational Spectroscopy: Accuracy and Interpretation 32
Toward reliable simulations of electronic spectra for large molecular systems 32
Modelling of large systems 31
Isotopomeric Conformational Changes in the Anisole-Water Complex: New Insights from HR-UV Spectroscopy and Theoretical Studies 28
First principle simulation of vibrationally resolved A2B1 X~2A1 electronic transition of phenyl radical 28
Accurate Harmonic/Anharmonic Vibrational Frequencies for Open-Shell Systems: Performances of the B3LYP/N07D Model for Semirigid Free Radicals Benchmarked by CCSD(T) Computations 27
Magnetic Properties of Nitroxide Spin Probes: Reliable Account of Molecular Motions and Nonspecific Solvent Effects by Time-Dependent and Time-Independent Approaches 26
Accurate ab initio based DMBE potential energy surface for the ground electronic state of N2H2 25
Calculation of structural and magnetic properties of free radicals using DFT and TD-DFT approaches and the new N07D basis set 25
Interplay of stereo electronic, vibrational and environmental effects in tuning physico-chemical properties of carbon centered radicals 25
The role of dispersion correction to DFT for modelling weakly bound molecular complexes in the ground and excited electronic states 24
Integrated experimental and computational spectroscopy study on π-stacking interaction: the anisole dimer 24
Integrated computational approach to vibrationally resolved electronic spectra: Anisole as a test case 23
Fully integrated approach to compute vibrationally resolved optical spectra: from small molecules to macrosystems 23
First principle simulation of vibrationally resolvedoptical spectra 23
Integrated approaches to compute optical spectra for molecular systems of biological interest 22
Fully integrated approach to compute vibrationally resolvedoptical spectra: from small molecules to macrosystems 22
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical 22
Theoretical modelling of weakly bound molecular complexes in the ground and excited electronic states: semi-empirical DFT versus post-HF approaches 21
General approach to compute vibrationally resolved one-photon electronic spectra 21
Computational spectroscopy as a tool to interpret experimental results: from small molecules in the gas phase to large systems in condensed phases 21
Toward an effective modelling of weakly bound molecular complexes: modified DFT-D scheme for stacking/dispersion and hydrogen bond interactions 20
Non-covalent interactions in the gas phase: new insights from experimental and computational spectroscopy 20
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies 18
Toward spectroscopic studies of biologically relevant systems: Vibrational spectrum of adenine as a test case for performances of long-range/dispersion corrected density functionals 17
The gas phase anisole dimer: a combined high-resolution spectroscopy and computational study of a stacked molecular system 15
Totale 928
Categoria #
all - tutte 3.835
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 3.835


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/202067 35 2 5 0 3 0 0 2 0 0 5 15
2020/2021114 3 4 32 3 5 32 3 0 10 10 11 1
2021/2022143 10 0 0 0 0 4 0 6 38 0 4 81
2022/2023303 34 4 7 31 56 36 0 46 64 9 10 6
2023/2024137 11 33 8 8 8 6 1 16 7 1 30 8
2024/202544 44 0 0 0 0 0 0 0 0 0 0 0
Totale 928