IRIS
CAMMI, Roberto
 Distribuzione geografica
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Continente #
NA - Nord America 3.990
EU - Europa 2.586
AS - Asia 1.867
SA - Sud America 15
OC - Oceania 8
Continente sconosciuto - Info sul continente non disponibili 6
AF - Africa 3
Totale 8.475
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Nazione #
US - Stati Uniti d'America 3.915
CN - Cina 1.007
IE - Irlanda 670
SG - Singapore 608
UA - Ucraina 444
SE - Svezia 428
FI - Finlandia 349
DE - Germania 311
IT - Italia 234
TR - Turchia 206
CA - Canada 73
GB - Regno Unito 71
BE - Belgio 22
FR - Francia 22
BR - Brasile 15
IN - India 11
HK - Hong Kong 9
JP - Giappone 8
CZ - Repubblica Ceca 7
IR - Iran 7
NL - Olanda 7
AU - Australia 6
EU - Europa 6
IL - Israele 6
RU - Federazione Russa 6
ES - Italia 5
PL - Polonia 3
HU - Ungheria 2
MA - Marocco 2
MX - Messico 2
NO - Norvegia 2
TW - Taiwan 2
AT - Austria 1
CK - Cook, isole 1
KR - Corea 1
LV - Lettonia 1
NG - Nigeria 1
NZ - Nuova Zelanda 1
OM - Oman 1
PH - Filippine 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 8.475
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Città #
Chandler 671
Dublin 668
Jacksonville 576
Singapore 466
Santa Clara 370
Beijing 287
Ashburn 223
Boardman 215
Dearborn 211
Izmir 204
Nanjing 202
Princeton 162
San Mateo 119
Ann Arbor 113
Wilmington 84
Parma 69
Toronto 63
Shenyang 61
Nanchang 54
Helsinki 53
Des Moines 48
Hebei 48
Jinan 42
Kunming 41
Hefei 37
Tianjin 31
Bremen 25
Shanghai 24
Jiaxing 23
Woodbridge 23
Guangzhou 20
Changsha 18
Norwalk 18
Fremont 17
Seattle 17
Brussels 16
Houston 13
Casalmaggiore 12
Bologna 11
Grafing 11
Hangzhou 11
Los Angeles 11
Falls Church 10
New York 10
Monmouth Junction 9
Borås 8
Munich 8
Redwood City 8
Rockville 7
Zhengzhou 7
Fuzhou 6
Marseille 6
Pisa 6
Reggio Emilia 6
Tel Aviv 6
Washington 6
Ardabil 5
Auburn Hills 5
Chengdu 5
Hong Kong 5
Milan 5
Pune 5
Taiyuan 5
Castelleone di Suasa 4
Haikou 4
Liverpool 4
Ruvo Di Puglia 4
Shenzhen 4
Taizhou 4
Turin 4
Wenzhou 4
Bassano del Grappa 3
Brescia 3
Cremona 3
Dalian 3
Dallas 3
Darmstadt 3
Düsseldorf 3
Edinburgh 3
Gattatico 3
Lanzhou 3
Madrid 3
Mestre 3
Mirandola 3
Moscow 3
Porto Mantovano 3
Redmond 3
Rome 3
Senigallia 3
Wuhan 3
Belo Horizonte 2
Berlin 2
Brisbane 2
Brno 2
Budapest 2
Caldogno 2
Cambridge 2
Casablanca 2
Chicago 2
Chongqing 2
Totale 5.635
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Nome #
Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules 98
A symmetry adapted tessellation of the GEPOL surface: Applications to molecular properties in solution 94
Ab initio calculation of optical rotation 90
Analytical derivatives for molecular solutes. II. Hartree-Fock energy first derivatives with respect to nuclear coordinates. 86
The calculation of excited-state polarizabilities of solvated molecules 84
Calculation of nonlinear optical susceptibilities of pure liquids within the Polarizable Continuum Model: the effect of the macroscopic nonlinear polarization at the output frequency, 84
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra 82
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model 80
A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure 79
Cu(I) Dinuclear Complexes with Tripodal Ligands vs. Monodentate Donors: Triphenylphosphine, Thiourea, and Pyridine. A 1H NMR Titration Study. 79
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 78
Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression 78
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 76
Quantum Cluster Theory for the Polarizable Continuum Model (PCM) 76
Low temperature absorption spectrum of LiNiPO4 75
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 75
Analytical Derivatives Theory 73
The effect of ''Full`` and ''Limited`` counterpoise corrections with different basis sets on the energy and equilibrium distances of hydrogen bonded dimers. 73
Recent advances in the description of solvent effects with the polarizable continuum model 72
Symmetry Descent in Molecular Systems 72
MCSCF linear response for the Polarizable Continuum Model: Theory and application to ground and excited-state polarizabilities of para-nitroaniline in solution 71
Medium effects on the molecular nonlinear optical properties: Theory and applications in the polarizable continuum model 71
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: macroscopic susceptibilities in solution 70
Quantum Cluster Theory for the Polarizable Continuum Model (PCM) 70
Molecular properties in solution described with a continuum solvation model 68
Analytical derivatives for molecular solutes. III. Hartree-Fock static polarizability and hyperpolarizabilities in the polarizable continuum model. 68
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 68
Recent Advances in the Coupled-Cluster Analytical Derivatives Theory for Molecules in Solution Described Within the Polarizable Continuum Model (PCM) Method 68
Quantum Chemistry at the High Pressures: The eXtreme Pressure Polarizable Continuum Model (XP-PCM) 68
Analytical free energy second derivatives with respect to nuclear coordinates: Complete formulation for electrostatic continuum solvation models 68
Electronic excitation energies of molecules in solution within continuum solvation models: investigatine the discrepancy between state specific and linear response methods 67
Quantum Mechanical continuum solvation models 67
Ab-initio model to predict NMR shielding tensors for solutes in liquid crystals, 67
New developments in the symmetry-adapted algorithm of the polarizable continuum model 66
Analytical derivatives for molecular solutes. I. Hartree-Fock energy first derivatives with respect to external parameters in the polarizable continuum model. 66
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)] 66
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 65
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645 65
Synthesis, Structure, and Electrochemical Properties of Copper(I) Complexes with S/N Homoscorpionate and Heteroscorpionate Ligands 65
Ab Initio study of solvated molecules: a new implementation of the Polarizable Continuum Model. 65
A polarizable continuum model for molecules at diffuse interfaces 64
Solvent and vibrational effects on molecular electric properties. Static and dynamic polarizability and hyperpolarizabilities of urea in water. 64
An open quantum system theory for polarizable continuum models 63
A reappraisal of hydrogen bonding interaction obtained by combining interaction energy analyses and counterpoise corrections. 63
Second-order Moller-Plesset second derivatives for the polarizable continuum model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene 62
Molecules in solution 62
Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model 62
The Extramolecular Electrostatic Potential: an Indicator of the Chemical Reactivity 62
Analytical first derivatives of molecular surfaces with respect to nuclear coordinates. 62
Optical absorption and fluorescence of PRODAN in solution: Quantum chemical study based on the symmetry-adapted cluster-configuration interaction method 62
Quantum-Mechanical Continuum Solvation Study of the Polarizability of Halides at the Water/Air Interface 62
Infrared Linera Dichroism in Stretched Films: Quantum Mechanical approach within the Polarizable Continuum Model 62
Fast evaluation of the geometries and properties of excited molecules in solution: a Tamm-Dancoff model with application to the 4-dimethyaminobenzonitrile 62
XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3 61
Analytical expressions of the free energy derivatives for molecules in solution. Application to the geometry optimization. 61
Linear chains of hydrogen molecules under pressure: An extreme-pressure continuum model study 60
Semiclassical Interpretation of Intramolecular Interactions 60
Studying and exploring potential energy surfaces of compressed molecules: a fresh theory from the eXtreme Pressure Polarizable Continuum Model 59
Medium effects on the properties of chemical systems: electric and magnetic rsponse of donor-acceptor systems within the polarizable continuum model 59
Nuclear magnetic shieldings in solution: Gauge invariant atomic orbital calculation using the polarizable continuum model 59
Counterpoise Corrections to the Interaction Energy Components in Bimolecular Complexes. 59
Analytical Hartree-Fock calculation of the dynamical polarizabilities, \alpha, \beta, and \gamma of molecules in solution. 59
The Cotton--Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution 58
Quantum Mechanical Polarizable Continuum Model Approach to the Kerr Effect of Pure Liquids 57
On the calculation of local field factors for microscopic static hyperpolarizabilities of molecules in solution with the aid of Quantum Mechanical methods 57
Theoretical Chemistry in solution. Some results and perspectives of the continuum methods and in particular of the Polarizable Continuum Model. 57
Computational modelling of the solvent effects on molecular properties: an overview of the Polarizable Continuum Model (PCM) approach 56
The Quantum Mechancal Formulation of Continuum Models. 56
Counterpoise Corrections to the Evaluation of the Bimolecular Interaction Energy Components. On the decoupling of the Emix term 56
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 56
Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models 56
Electron configuration and electronegativity of the atoms under compression 56
Excitation energy transfer (EET) between molecules in condensed matter: A novel application of the polarizable continuum model (PCM) 55
Medium effects on the properties of chemical systems: An overview of recent formulations in the polarizable continuum model (PCM) 55
Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure 55
Excitonic splitting in agregates of conjugated oligomes: a quantum mechanical model including interchain interactions and dielectric effects 55
Mononuclear and Polynuclear Copper(I) Complexes with a New N,N',S-Donor Ligand and with Structural Analogies to the Copper Thionein Core 55
How the Environment Controls Absorption and Fluorescence Spectra of PRODAN: A Quantum-Mechanical Study in Homogeneous and Heterogeneous Media 55
Second-order Moller-Plesset analytical derivatives for the polarizable continuum model using the relaxed density approach 55
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. 55
The Effect of Pressure on Organic Reactions in Fluids—a New Theoretical Perspective 55
On the calculation of infrared intensities in solution within the polarizable continuum model 54
A Quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 54
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case 54
Nonequilibrium solvation for vertical photoemission and photoabsorption processes using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model 54
Solvent effects on the indirect spin-spin coupling constants of benzenes:The DFT-PCM approach 53
FROM MOLECULAR ELECTROSTATIC POTENTIALS TO SOLVATION MODELS AND ENDING WITH BIOMOLECULAR PHOTOPHYSICAL PROCESSES 53
Preface 52
On the ab-initio geometry optimization of molecular solutes. 52
Quantum optimal control theory for solvated systems 52
Molecular interactions in a homogeneous electric field: the (HF)_{2} complex. 51
The time-dependent variational principle for non-linear Hamiltonians and its application to molecules in liquid phase. 51
A density functional theory study of structural and NMR properties of SNN thiosemicarbazone ligands and their Pd(II) chlorocomplexes 51
Decomposition of the interaction energy between metal cations and water or ammonia with inclusion of the counterpoise corrections to the interaction energy terms. 51
Molecular-distortions analysis with Cartesian symmetry coordinates. 50
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. 50
Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach 49
Diels-Alder Cycloaddition of Cyclopentadiene and C60 at the Extreme High Pressure 49
Mechanistic Insights Into Acetophenone Transfer Hydrogenation Catalyzed by Half-Sandwich Ruthenium(II) Complexes Containing 2-(Diphenylphosphanyl)aniline - A Combined Experimental and Theoretical Study 48
Correction: Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra 48
Totale 6.338
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Categoria #
all - tutte 36.482
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 36.482
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020804 0 0 0 0 0 151 184 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
2024/20251.259 3 208 248 140 317 343 0 0 0 0 0 0
Totale 8.676