IRIS
CAMMI, Roberto
 Distribuzione geografica
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Continente #
NA - Nord America 3.362
EU - Europa 2.501
AS - Asia 1.347
Continente sconosciuto - Info sul continente non disponibili 6
OC - Oceania 4
AF - Africa 3
Totale 7.223
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Nazione #
US - Stati Uniti d'America 3.288
CN - Cina 973
IE - Irlanda 670
UA - Ucraina 444
SE - Svezia 428
FI - Finlandia 339
DE - Germania 301
TR - Turchia 205
IT - Italia 198
SG - Singapore 131
CA - Canada 73
GB - Regno Unito 69
BE - Belgio 20
IN - India 11
FR - Francia 10
CZ - Repubblica Ceca 7
IR - Iran 7
JP - Giappone 7
EU - Europa 6
IL - Israele 6
HK - Hong Kong 5
NL - Olanda 5
AU - Australia 2
ES - Italia 2
HU - Ungheria 2
MA - Marocco 2
PL - Polonia 2
RU - Federazione Russa 2
AT - Austria 1
CK - Cook, isole 1
KR - Corea 1
MX - Messico 1
NG - Nigeria 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
TW - Taiwan 1
Totale 7.223
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Città #
Chandler 671
Dublin 668
Jacksonville 576
Beijing 285
Ashburn 221
Dearborn 211
Izmir 204
Nanjing 202
Princeton 162
San Mateo 119
Ann Arbor 113
Wilmington 84
Singapore 71
Parma 67
Toronto 63
Shenyang 61
Nanchang 54
Boardman 49
Des Moines 48
Hebei 48
Helsinki 43
Jinan 42
Kunming 41
Hefei 35
Tianjin 31
Bremen 25
Jiaxing 23
Woodbridge 23
Shanghai 22
Changsha 18
Guangzhou 18
Norwalk 18
Fremont 17
Seattle 17
Brussels 16
Houston 13
Casalmaggiore 12
Grafing 11
Hangzhou 11
Los Angeles 11
Falls Church 10
New York 10
Monmouth Junction 9
Bologna 8
Borås 8
Redwood City 8
Rockville 7
Zhengzhou 7
Fuzhou 6
Reggio Emilia 6
Tel Aviv 6
Washington 6
Ardabil 5
Auburn Hills 5
Chengdu 5
Pune 5
Castelleone di Suasa 4
Haikou 4
Liverpool 4
Ruvo Di Puglia 4
Taiyuan 4
Taizhou 4
Turin 4
Wenzhou 4
Bassano del Grappa 3
Cremona 3
Darmstadt 3
Düsseldorf 3
Edinburgh 3
Lanzhou 3
Mestre 3
Mirandola 3
Porto Mantovano 3
Redmond 3
Senigallia 3
Wuhan 3
Berlin 2
Brno 2
Budapest 2
Caldogno 2
Cambridge 2
Casablanca 2
Chicago 2
Chongqing 2
Dalian 2
Forest City 2
Hamburg 2
Henderson 2
Hong Kong 2
Huizen 2
Kaufbeuren 2
Leawood 2
Madrid 2
Mantova 2
Maranello 2
Meise 2
Menlo Park 2
Milan 2
Modena 2
Moscow 2
Totale 4.651
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Nome #
Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules 85
Ab initio calculation of optical rotation 82
Analytical derivatives for molecular solutes. II. Hartree-Fock energy first derivatives with respect to nuclear coordinates. 77
The calculation of excited-state polarizabilities of solvated molecules 73
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra 73
Calculation of nonlinear optical susceptibilities of pure liquids within the Polarizable Continuum Model: the effect of the macroscopic nonlinear polarization at the output frequency, 72
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model 71
Cu(I) Dinuclear Complexes with Tripodal Ligands vs. Monodentate Donors: Triphenylphosphine, Thiourea, and Pyridine. A 1H NMR Titration Study. 71
A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure 69
Synthesis and molecular structure of the dihydrobis(thioxotriazolinyl)borato complexes of zinc(II), bismuth(III), and nickel(II). M…H-B interaction studied by Ab Initio calculations 68
Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression 68
Quantum Cluster Theory for the Polarizable Continuum Model (PCM) 67
Low temperature absorption spectrum of LiNiPO4 66
The effect of ''Full`` and ''Limited`` counterpoise corrections with different basis sets on the energy and equilibrium distances of hydrogen bonded dimers. 66
SYMMETRY - A COMPUTER-PROGRAM FOR THE ANALYSIS OF THE DISTORTIONS OF THE MX(6)(O-H) AND MX(4)(T-D) COMPLEXES IN CRYSTALLINE ENVIRONMENTS 65
Analytical Derivatives Theory 64
Solvent effects on N-15 NMR shielding of 1,2,4,5-tetrazine and isomeric tetrazoles: Continuous set gauge transformation calculation using the polarizable continuum model 61
Quantum Chemistry at the High Pressures: The eXtreme Pressure Polarizable Continuum Model (XP-PCM) 61
Analytical derivatives for molecular solutes. III. Hartree-Fock static polarizability and hyperpolarizabilities in the polarizable continuum model. 60
An ab initio time-dependent Hartree-Fock study of solvent effects on the polarizability and second hyperpolarizability of polacetylene chains within the Polarizable Continuum Model 60
Symmetry Descent in Molecular Systems 60
A symmetry adapted tessellation of the GEPOL surface: Applications to molecular properties in solution 60
Medium effects on the molecular nonlinear optical properties: Theory and applications in the polarizable continuum model 60
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: macroscopic susceptibilities in solution 59
Ab-initio model to predict NMR shielding tensors for solutes in liquid crystals, 59
Analytical free energy second derivatives with respect to nuclear coordinates: Complete formulation for electrostatic continuum solvation models 59
Quantum Mechanical continuum solvation models 58
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645 58
Quantum Cluster Theory for the Polarizable Continuum Model (PCM) 58
Solvent and vibrational effects on molecular electric properties. Static and dynamic polarizability and hyperpolarizabilities of urea in water. 58
Electronic excitation energies of molecules in solution within continuum solvation models: investigatine the discrepancy between state specific and linear response methods 57
Molecular properties in solution described with a continuum solvation model 57
Vibrational Circular Dichroism within the polarizable continuum model: a theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution 57
Recent advances in the description of solvent effects with the polarizable continuum model 57
Recent Advances in the Coupled-Cluster Analytical Derivatives Theory for Molecules in Solution Described Within the Polarizable Continuum Model (PCM) Method 57
On the Reaction of Ph2PNHPPh2 with RNCS (R = Et, Ph, p-NO2C6H4). Preparation of the Zwitterionic Ligand EtNHC(S)Ph2P=NPPh2C(S)NEt (HSNS) and the Zwitterionic Metalate [(SNS)Rh(CO)] 57
Synthesis, Structure, and Electrochemical Properties of Copper(I) Complexes with S/N Homoscorpionate and Heteroscorpionate Ligands 57
Ab Initio study of solvated molecules: a new implementation of the Polarizable Continuum Model. 57
MCSCF linear response for the Polarizable Continuum Model: Theory and application to ground and excited-state polarizabilities of para-nitroaniline in solution 56
Analytical derivatives for molecular solutes. I. Hartree-Fock energy first derivatives with respect to external parameters in the polarizable continuum model. 56
Analytical first derivatives of molecular surfaces with respect to nuclear coordinates. 56
XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3 56
New developments in the symmetry-adapted algorithm of the polarizable continuum model 55
A polarizable continuum model for molecules at diffuse interfaces 55
Second-order Moller-Plesset second derivatives for the polarizable continuum model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene 54
The Extramolecular Electrostatic Potential: an Indicator of the Chemical Reactivity 54
An open quantum system theory for polarizable continuum models 54
Quantum-Mechanical Continuum Solvation Study of the Polarizability of Halides at the Water/Air Interface 54
Infrared Linera Dichroism in Stretched Films: Quantum Mechanical approach within the Polarizable Continuum Model 54
A reappraisal of hydrogen bonding interaction obtained by combining interaction energy analyses and counterpoise corrections. 54
Analytical expressions of the free energy derivatives for molecules in solution. Application to the geometry optimization. 54
Molecules in solution 53
Fast evaluation of the geometries and properties of excited molecules in solution: a Tamm-Dancoff model with application to the 4-dimethyaminobenzonitrile 53
Medium effects on the properties of chemical systems: electric and magnetic rsponse of donor-acceptor systems within the polarizable continuum model 52
Analytical Hartree-Fock calculation of the dynamical polarizabilities, \alpha, \beta, and \gamma of molecules in solution. 52
Optical absorption and fluorescence of PRODAN in solution: Quantum chemical study based on the symmetry-adapted cluster-configuration interaction method 52
Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model 51
Nuclear magnetic shieldings in solution: Gauge invariant atomic orbital calculation using the polarizable continuum model 51
Counterpoise Corrections to the Interaction Energy Components in Bimolecular Complexes. 51
Linear chains of hydrogen molecules under pressure: An extreme-pressure continuum model study 50
Theoretical Chemistry in solution. Some results and perspectives of the continuum methods and in particular of the Polarizable Continuum Model. 50
Quantum Mechanical Polarizable Continuum Model Approach to the Kerr Effect of Pure Liquids 49
The Quantum Mechancal Formulation of Continuum Models. 49
Electron configuration and electronegativity of the atoms under compression 49
Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure 48
Solvent effects on the linear and nonlinear optical properties of donor-acceptor polyenes: investigation of electronic and vibrational components in terms of structure and charge distribution changes 48
How the Environment Controls Absorption and Fluorescence Spectra of PRODAN: A Quantum-Mechanical Study in Homogeneous and Heterogeneous Media 48
Nonequilibrium solvation theory for the polarizable continuum model: a new formulation at the SCF level with application to the case of the frequency-dependent linear electric response function. 48
Excitation energy transfer (EET) between molecules in condensed matter: A novel application of the polarizable continuum model (PCM) 47
Computational modelling of the solvent effects on molecular properties: an overview of the Polarizable Continuum Model (PCM) approach 47
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case 47
Mononuclear and Polynuclear Copper(I) Complexes with a New N,N',S-Donor Ligand and with Structural Analogies to the Copper Thionein Core 47
Semiclassical Interpretation of Intramolecular Interactions 47
Studying and exploring potential energy surfaces of compressed molecules: a fresh theory from the eXtreme Pressure Polarizable Continuum Model 46
The Cotton--Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution 46
On the calculation of infrared intensities in solution within the polarizable continuum model 46
A Quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 46
Preface 46
On the calculation of local field factors for microscopic static hyperpolarizabilities of molecules in solution with the aid of Quantum Mechanical methods 46
Excitonic splitting in agregates of conjugated oligomes: a quantum mechanical model including interchain interactions and dielectric effects 46
FROM MOLECULAR ELECTROSTATIC POTENTIALS TO SOLVATION MODELS AND ENDING WITH BIOMOLECULAR PHOTOPHYSICAL PROCESSES 46
Nonequilibrium solvation for vertical photoemission and photoabsorption processes using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model 46
Medium effects on the properties of chemical systems: An overview of recent formulations in the polarizable continuum model (PCM) 45
The Effect of Pressure on Organic Reactions in Fluids—a New Theoretical Perspective 45
Molecular interactions in a homogeneous electric field: the (HF)_{2} complex. 44
On the ab-initio geometry optimization of molecular solutes. 44
Second-order Moller-Plesset analytical derivatives for the polarizable continuum model using the relaxed density approach 44
Decomposition of the interaction energy between metal cations and water or ammonia with inclusion of the counterpoise corrections to the interaction energy terms. 44
Counterpoise Corrections to the Evaluation of the Bimolecular Interaction Energy Components. On the decoupling of the Emix term 43
Molecular-distortions analysis with Cartesian symmetry coordinates. 43
Solvent effects on the indirect spin-spin coupling constants of benzenes:The DFT-PCM approach 43
Diels-Alder Cycloaddition of Cyclopentadiene and C60 at the Extreme High Pressure 43
The time-dependent variational principle for non-linear Hamiltonians and its application to molecules in liquid phase. 42
Mechanistic Insights Into Acetophenone Transfer Hydrogenation Catalyzed by Half-Sandwich Ruthenium(II) Complexes Containing 2-(Diphenylphosphanyl)aniline - A Combined Experimental and Theoretical Study 42
Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: iterative versus matrix-inversion procedures and renormalization of the apparent charges. 42
Correction: Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra 42
Quantum optimal control theory for solvated systems 42
On the calculation of nonlinear optical macroscopic susceptibilities in solution within the polarizable continuum model 41
The Cotton-Mouton effect of gaseous N-2, CO, CO2, N2OOCS and CS2: a density functional approach to high-order mixed electric and magnetic properties 41
Synthesis and ab-initio study of thiosemicarbazonic ligands and their Pd(II) chlorocomplexes 41
Totale 5.410
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Categoria #
all - tutte 28.955
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 28.955
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.767 349 310 123 13 168 151 184 32 151 130 28 128
2020/2021905 4 119 82 15 130 11 84 27 225 27 165 16
2021/2022695 16 11 4 30 18 17 67 118 22 53 68 271
2022/20232.324 280 151 109 195 202 292 25 122 844 23 61 20
2023/2024705 53 78 22 38 67 157 31 37 35 34 74 79
2024/20251 1 0 0 0 0 0 0 0 0 0 0 0
Totale 7.418