Distribuzione geografica
Continente #
NA - Nord America 8072
EU - Europa 2767
AS - Asia 822
SA - Sud America 9
AF - Africa 2
Continente sconosciuto - Info sul continente non disponibili 1
Totale 11673
Nazione #
US - Stati Uniti d'America 7879
IT - Italia 1008
DE - Germania 737
CN - Cina 543
BG - Bulgaria 295
UA - Ucraina 207
SE - Svezia 202
CA - Canada 191
FI - Finlandia 117
TR - Turchia 112
VN - Vietnam 110
GB - Regno Unito 79
RU - Federazione Russa 59
FR - Francia 14
IN - India 14
BE - Belgio 13
GE - Georgia 7
AR - Argentina 5
CH - Svizzera 5
CZ - Repubblica Ceca 5
JP - Giappone 5
BY - Bielorussia 4
ES - Italia 4
ID - Indonesia 4
NL - Olanda 4
PH - Filippine 4
PK - Pakistan 4
PL - Polonia 4
IR - Iran 3
MY - Malesia 3
RO - Romania 3
CL - Cile 2
HK - Hong Kong 2
HU - Ungheria 2
KR - Corea 2
MX - Messico 2
SG - Singapore 2
TH - Thailandia 2
TW - Taiwan 2
AT - Austria 1
BA - Bosnia-Erzegovina 1
BR - Brasile 1
DK - Danimarca 1
EU - Europa 1
GR - Grecia 1
KZ - Kazakistan 1
MN - Mongolia 1
PT - Portogallo 1
SD - Sudan 1
TN - Tunisia 1
UZ - Uzbekistan 1
VE - Venezuela 1
Totale 11673
Città #
Woodbridge 1637
Ann Arbor 1082
Fairfield 1067
Houston 888
Serra 688
Seattle 486
Chandler 452
Ashburn 415
Cambridge 352
Wilmington 335
Jacksonville 306
Sofia 295
Ottawa 188
Beijing 185
Princeton 130
Lawrence 121
Izmir 108
Medford 106
Nanjing 100
Dearborn 74
Des Moines 68
San Diego 64
Jüchen 62
Nanchang 61
Bremen 50
Dong Ket 38
Boulder 34
Hebei 25
Redwood City 24
Kunming 23
Livorno 23
Norwalk 22
Shenyang 22
Jiaxing 16
Milan 16
Pescia 16
Tianjin 16
Potsdam 15
Changsha 14
Brussels 13
Jinan 13
Auburn Hills 12
Hefei 11
Scuola 11
Xian 10
Changchun 7
Florence 7
Hangzhou 7
Orange 7
Boardman 6
Leawood 6
Pisa 6
Phoenix 5
Walnut 5
Enterprise 4
Fuzhou 4
Guangzhou 4
Lanzhou 4
London 4
Verona 4
Bahawalpur 3
Carrara 3
Chengdu 3
Cordoba 3
Indiana 3
Los Angeles 3
Madrid 3
Ningbo 3
Zhengzhou 3
Bangalore 2
Capannori 2
Central District 2
Genova 2
Hanoi 2
Jakarta 2
Lausanne 2
Lucca 2
Minsk 2
Newark 2
Nürnberg 2
Oak Ridge 2
Prague 2
Redmond 2
Samara 2
San Francisco 2
Santiago 2
Seoul 2
Taipei 2
Trieste 2
Vitebsk 2
Zurich 2
Abbottabad 1
Amsterdam 1
Astana 1
Bangkok 1
Banja Luka 1
Baotou 1
Bay Springs 1
Bibbona 1
Binh Duong 1
Totale 9854
Nome #
Molecular interactions: a study of charge transfer effects 144
Two-dimensional electrostatic analog of the March model of C60 with a semiquantitative application to planar ring clusters 141
MCSCF study of the S(N)2 Menshutkin reaction in aqueous solution within the polarizable continuum model 141
Variational quantum Monte Carlo results for N2, N2+ and C2– utilising the four-dimensional density of Bright Wilson 134
Hookean atom with four electrons: On the formation of a tetrahedral Wigner molecule in the weak trapping limit 133
Correlated kinetic energy density functional of ground states of harmonically confined two-electron atoms for arbitrary interparticle interaction 128
Exchange-correlation potential in terms of the idempotent Dirac density matrix of DFT 127
Electrostrictive Deformations in Small Carbon Clusters, Hydrocarbon Molecules and Carbon Nanotubes 127
Modeling of Electron Density in Linear Configurations of (H3)2+ and (H4)3+ stabilized by an intense magnetic field along the chain axis 126
Analytic inhomogeneous electron liquid and its density for model spin-compensated two-electron atomic ions with Coulomb confinement: an exact nonrelativistic Hamiltonian 126
Exact differential and integral constraints for the Pauli potential in the pair density functional theory 125
On the Evaluation of the Matrix Elements Between Non-Orthogonal Slater Determinants 124
Interaction energy between fullerene molecules when immersed in non-dipolar solvents 124
Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects? 124
Four electrons interacting pairwise in the limit of infinitesimal confining potentials: especially the quintet spin state 123
Relation between the Slater-Kohn-Sham orbitals generated by the one-body potential V(r) of DFT and the Lowdin natural orbitals for inhomogeneous electron liquids 121
Coupling Quantum Monte Carlo to a Nonlinear Polarizable Continuum Model for Spherical Solutes 121
An exact coupled cluster theory for Moshinsky and Hookean two-electron model atoms with spin-compensated ground states 121
Ground- and excited-state cusp conditions for the pair density 119
Inhomogeneous electron liquid due to encapsulated atoms in C60 compounds: dynamic polarisability induced in the outer C60 shell 119
Calculation of the dispersion energy contribution to the solvation free energy 118
Quantum information: Jaynes and Shannon entropies in a two-electron entangled artificial atom 118
Pair density related to one-electron information for the ground state of spin-compensated two-electron systems 118
Exact density matrix for a two-electron model atom and approximate proposals for realistic two-electron systems 117
Density matrices in direct and momentum space for a model of the He-like sequence of atomic ions 117
On the accuracy of pseudopotentials designed for QMC calculations on molecules of the first row atoms 115
Bosonised DFT potential estimated from QMC calculations of the ground-state density for the inhomogeneous electron liquid in Be 115
Modeling the Pauli potential in the pair density functional theory 114
A form of the single-particle kinetic energy density of an inhomogeneous electron liquid from a combination of one-body potential and ground-state electron density 114
Quantum-chemical modelling of CO physisorbed and chemisorbed on a beryllium metal surface 113
Kinetic Energy Density in Terms of Electron Density for Closed-Shell Atoms in a Bare Coulomb Field 113
Ornstein-Zernike function and Coulombic correlation in the homogeneous electron liquid 112
Inequivalent electron densities derived from an approximate correlated ground-state wavefunction using the Hiller-Sucher-Feinberg identity: comparisons with quantum Monte Carlo densities for He and Ne atoms 112
The March model applied to boron cages 111
Study of dispersion forces with Quantum Monte Carlo: toward a continuum model for solvation 111
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States 111
Use of ab initio methods to classify four existing energy density functionals according to their possible variational validity 110
Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions 108
Core-Hole States and the Koopmans Theorem 107
Shannon entropy and correlation energy for electrons in atoms 107
Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model 106
Effective potential in density matrix functional theory 105
Size-extensive wave functions for quantum Monte Carlo: A linear scaling generalized valence bond approach 105
The March model applied to boron cages 105
Exactly solvable model mimicking the H2 molecule in the limit of large nuclear masses 104
The wavefunction when antiparallel spin electrons coincide and its relation to the ground-state electron density in the Hookean atom 104
Slater sum for a three-dimensional inhomogeneous Fermi fluid with one-dimensional harmonic confinement 104
Electrostatic potentials at the nucleus for isoelectronic series of light atomic ions using the QMC method in relation to DFT 103
Slater sum and kinetic energy tensor in some simple inhomogeneous electron liquids 103
Long-range asymptotic behavior of the ground-state electron density in He-like ions as a function of atomic number 101
Erratum:"Modeling the Pauli potential in the pair density functional theory" (vol 129, 204108, 2008) 101
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water 101
The key role of electron-nuclear potential energy in determining the ground-state energy of inhomogeneous electron liquids in both real and model atoms 101
Exchange-correlation potential in terms of the idempotent Dirac density matrix of DFT 100
On the effect of Pauli repulsion and dispersion on static molecular polarizabilities and hyperpolarizabilities in solution 100
Thomas-Fermi theory of an inhomogeneous electron liquid generalized to incorporate density gradients 99
Surface charge model of a carbon nanotube: self-consistent field from Thomas-Fermi theory 99
Long-range forces between C nanotubes and between C cages: Some polarizability bounds and scaling approximations yielding interaction energies at intermediate separations 98
Feynman propagator and Slater sum for a model Hamiltonian motivated by H2+ in an intense magnetic field 98
Exact Hamiltonian for an analytic correlated ground-state wave function for He-like ions 98
Generalizing Hartree-Fock theory for nonrelativistic atomic ions to yield a ground-state electron density satisfying cusp and asymptotic conditions 98
Inhomogeneous Electron Liquid: H Atom Dirac Density Matrix in Limit of Infinite Number of Closed Shells 98
Slater sum and modification of two-dimensional free-electron density of states from the canonical density matrix describing the Aharonov-Bohm effect 97
Solubility of water in liquid hydrocarbons: a bridge between the polarizable continuum model and the mobile order theory 97
Two-dimensional electrostatic analog of the March model of C60 with a semiquantitative application to planar ring clusters 96
Approximate ansatz for the expansion of the spherically averaged wave function in terms of interelectronic separation r12 for the Hookean atom, atomic ions and the H2 molecule 96
Shannon Entropy in Atoms: A Test for the Assessment of Density Functionals in Kohn-Sham Theory 96
Electronic Energy Spectrum of Two-Dimensional Solids and a Chain of C Atoms from a Quantum Network Model 95
Inhomogeneous Electron Liquid: Differential Equation Satisfied by Diagonal Element of Coulomb Bound s-State Green Function 95
Slater sum for central field problems characterized by its s-wave component alone 95
The exchange-correlation potential of DFT obtained from a semiempirically fine-tuned Hartree-Fock density for inhomogeneous electron liquids 94
Structure and dynamics of mesogens using intermolecular potentials derived from ab initio calculations 94
Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo 94
MCSCF Study of Chemical Reactions in Solution within the Polarizable Continuum Model and VB Analysis of the Reaction Mechanism 93
Self Consistent Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free Energy in the Polarizable Continuum Model 93
Explicit energy density functional for the Crandall two-electron model atom with harmonic confinement and inverse square law inter-particle repulsion 93
Asymptotic form at large r of a third-order linear homogeneous differential equation for the ground-state electron density of the He atom 93
Three-dimensional Wigner molecules formed from an assembly of confined but Coulombically repelling electrons 92
Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study 91
Approaching the s-wave model ground state energy of He-like atomic ions: results from a model Hamiltonian 91
Slater Sum in Cylindrically Symmetric Inhomogeneous Electron Liquids: Towards a Differential Equation for the Stark Effect in Hydrogen Atom 90
VB analysis of wavefunctions calculated for chemical reactions in solution 89
Explicit form of Pauli potential for direct derivation of pair density from a two-particle differential equation for the quintet state of four electrons with harmonic interparticle interactions 88
Electron-electron cusp condition and asymptotic behavior for the Pauli potential in pair density functional theory 88
Theoretical Modeling of the Symmetric (C2v) Electrophilic Attachment of Chlorine to Ethylene in Aqueous Solution 86
Dependence of the pi-electron eigenvalue sum on the number of atoms in almost spherical C cages 85
null 84
Locality and Nonlocality in Quantum Mechanics: a Two-Proton EPR Experiment 83
Force-Balance and Differential Equation for the Ground-State Electron Density in Atoms and Molecules 82
Exact integral relation between the triplet correlation function in the ground state of the completely polarized homogeneous electron fluid and the pair function: comparison with the classical liquid argon result 80
Low-lying Adiabatic Electronic States of NO: a QMC Study 80
On the Effect of Pauli Repulsion and Dispersion on Static Molecular Polarizabilities and Hyperpolarizabilities in Solution 79
Totale 10765
Categoria #
all - tutte 16548
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 16548

Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2017/2018796 0000 00 0647 9399011
2018/20191700 161219 17921 38222 37288420313
2019/20203068 319188666173 281282 311218 27313517844
2020/20211136 120497846 8539 199118 1388457123
2021/20221268 861074572 197165 4684 433571317
2022/2023891 15710636196 159221 115 0000
Totale 11806