KOCH, Henrik
 Distribuzione geografica
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Continente #
NA - Nord America 4.167
EU - Europa 3.878
AS - Asia 1.298
Continente sconosciuto - Info sul continente non disponibili 35
SA - Sud America 6
OC - Oceania 1
Totale 9.385
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Nazione #
US - Stati Uniti d'America 4.141
IE - Irlanda 1.430
IT - Italia 1.111
CN - Cina 702
SE - Svezia 538
TR - Turchia 457
UA - Ucraina 434
DE - Germania 240
SG - Singapore 96
EU - Europa 35
CA - Canada 26
NO - Norvegia 21
FI - Finlandia 20
CH - Svizzera 18
BE - Belgio 16
JP - Giappone 13
GB - Regno Unito 11
NL - Olanda 9
PL - Polonia 9
IR - Iran 8
VN - Vietnam 7
AT - Austria 6
DK - Danimarca 5
IN - India 5
FR - Francia 4
IL - Israele 4
TW - Taiwan 3
CL - Cile 2
CZ - Repubblica Ceca 2
PE - Perù 2
AU - Australia 1
BA - Bosnia-Erzegovina 1
BO - Bolivia 1
BR - Brasile 1
ES - Italia 1
HK - Hong Kong 1
KH - Cambogia 1
LA - Repubblica Popolare Democratica del Laos 1
RO - Romania 1
RU - Federazione Russa 1
Totale 9.385
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Città #
Dublin 1.428
Jacksonville 993
Pisa 836
Chandler 496
Izmir 456
Lawrence 269
Ashburn 241
Boston 213
Millbury 213
Wilmington 205
New York 156
Dearborn 149
San Mateo 148
Beijing 110
Ogden 95
Bremen 88
Singapore 80
Boardman 76
Hefei 76
Scuola 58
Guangzhou 56
Ann Arbor 51
Shanghai 46
Nanjing 41
Kunming 39
Andover 35
Santa Clara 32
Wuhan 29
Milan 24
Toronto 24
Washington 24
Fairfield 23
Jinan 23
Seattle 22
Nanchang 20
Helsinki 19
Las Vegas 19
Brussels 16
Trondheim 16
Voghera 16
Bern 15
Norwalk 14
Houston 12
Jiaxing 11
Shenyang 11
Rome 10
Tokyo 10
Chicago 9
Florence 9
Jinhua 9
Warsaw 9
Chongqing 8
Ningbo 8
Dong Ket 7
Hebei 7
San Giuliano Terme 7
Woodbridge 7
Cusano Milanino 6
Shenzhen 6
Vienna 6
Yiwu 6
Centro 5
Chengdu 5
Fuzhou 5
Laurel 5
Nanning 5
Amsterdam 4
Cambridge 4
Catania 4
Frankfurt am Main 4
Los Angeles 4
Shaoxing 4
Wenzhou 4
Wuxi 4
Zanjan 4
Baotou 3
Bologna 3
Changsha 3
Grosseto 3
Oslo 3
San Diego 3
San Francisco 3
San Paolo di Civitate 3
Serra 3
Signa 3
Simi Valley 3
Taipei 3
Taiyuan 3
Taizhou 3
Xian 3
Zhengzhou 3
Zibo 3
Zurich 3
Battipaglia 2
Berlin 2
Carrara 2
Changchun 2
Chiyoda-ku 2
Garching 2
Genoa 2
Totale 7.277
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Nome #
A theoretical and experimental benchmark study of core-excited states in nitrogen 129
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods 100
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework 97
Multilevel Density Functional Theory 97
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex 92
Density-Based Multilevel Hartree-Fock Model 91
The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients 91
The Dalton quantum chemistry program system 89
Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties 87
Coupled cluster energy derivatives. Analytic Hessian for the closed-shell coupled cluster singles and doubles wave function: Theory and applications 86
Accurate ab initio density fitting for multiconfigurational self-consistent field methods 86
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption 85
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O 84
Benzene-argon S-1 intermolecular potential energy surface 84
The Cotton - Mouton effect of liquid water. Part II: The semi-continuum model 84
Research note: Scf calculations of the nmr shielding tensor for the ethylenic carbon atom in C3Cl4 83
Tautomerization of Thymine Using Ultraviolet Light 82
The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He-2 and Ar-2 82
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions 81
Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of Ar-2 80
Crossing conditions in coupled cluster theory 79
Coupled cluster response calculation of natural chiroptical spectra 78
Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory 78
The effect of intermolecular interactions on the electric properties of helium and argon. III - Quantum statistical calculations of the dielectric second virial coefficients 78
Accurate ab initio rovibronic spectrum of the X 1 Sigma(+)(g) and B 1 Sigma(+)(u) in Ar-2 77
Basis-set convergence of correlated calculations on water 77
Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbitals 77
Benzene-argon triplet intermolecular potential energy surface 76
Basis set limits of the second order Møller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene 76
A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model 76
Coupled cluster response functions 75
A ReaxFF force field for sodium intrusion in graphitic cathodes 75
Accurate intermolecular ground state potential of the Ar-N-2 complex 75
The multilevel CC3 coupled cluster model 75
Accurate Description of Photoionization Dynamical Parameters 75
The extended CC2 model ECC2 74
The benzene-argon complex: A ground and excited state ab initio study 74
Multi-level coupled cluster theory 73
Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene 73
Erratum: Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework (Journal Of Chemical Physics (2015) 143 (181103)) 73
Ab initio calculation of optical rotation in (P)-(+)-[4]triangulane 73
The second-order approximate coupled cluster singles and doubles model CC2 73
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models 73
Coupled cluster response theory in parameter subspaces 72
Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes 72
Gauge invariant coupled cluster response theory 72
Static polarizabilities and dipole moment derivatives for the closed shell coupled cluster singles and doubles wave function 72
C24: Ring or fullerene? 72
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets 72
Time-dependent coupled-cluster theory for ultrafast transient-absorption spectroscopy 72
Surprising cases of divergent behavior in Møller-Plesset perturbation theory 71
Assessment of density functionals for van der Waals complexes of sodium and benzene 71
Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence 70
Basis-set convergence in correlated calculations on Ne, N2, and H2O 70
Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene 70
Brueckner coupled cluster response functions 70
Analytical calculation of full configuration interaction response properties: Application to be 70
Dynamic CCSD polarisabilities of CHF3 and CHCl3 69
On the time-dependent Lagrangian approach in quantum chemistry 69
Computational and experimental investigation of intermolecular states and forces in the benzene-helium van der Waals complex 69
A second-order doubles correction to excitation energies in the random-phase approximation 69
Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges 69
A variational matrix decomposition applied to full configuration-interaction calculations 68
Large scale random phase calculations for direct self-consistent field wavefunctions 68
The Hartree–Fock magnetizability of C60 68
An efficient algorithm for Cholesky decomposition of electron repulsion integrals 68
The helium-, neon-, and argon-cyclopropane van der waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics 67
Resolving the notorious case of conical intersections for coupled cluster dynamics 67
Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids 67
A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models 67
Study of the benzene·N2intermolecular potential-energy surface 66
Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals 66
Energy-Based Molecular Orbital Localization in a Specific Spatial Region 66
Comment on "The importance of high-order correlation effects for the CO-CO interaction potential" - [Chem. Phys. Lett. 314 (1999) 326] 65
A coupled cluster calculation of the spectrum of urea 65
Calculation of frequency-dependent polarizabilities using coupled-cluster response theory 65
The vibrational and temperature dependence of the indirect nuclear spin-spin coupling constants of the oxonium (H3O+) and hydroxyl (OH-) ions 64
Observation of ultrafast intersystem crossing in thymine by extreme ultraviolet time-resolved photoelectron spectroscopy 64
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections 63
The integral-direct coupled cluster singles and doubles model 63
DIRECT ATOMIC ORBITAL BASED SELF-CONSISTENT-FIELD CALCULATIONS OF NONLINEAR MOLECULAR-PROPERTIES - APPLICATION TO THE FREQUENCY-DEPENDENT HYPERPOLARIZABILITY OF PARA-NITROANILINE 63
Branching ratios for the dissociative decay of triplet H2 63
Theoretical electronic absorption and natural circular dichroism spectra of (-)-trans-cyclooctene 63
The CCSD(T) model with Cholesky decomposition of orbital energy denominators 63
Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes 62
Polarizabilities of small annulenes from Cholesky CC2 linear response theory 62
Variation of polarizability in the [4n + 2] annulene series: from [22]- to [66]-annulene 62
Random-phase calculations of frequency-dependent polarizabilities and hyperpolarizabilities of long polyene chains 62
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES OF POLYYNES 62
An Orbital Invariant Similarity Constrained Coupled Cluster Model 62
Argon broadening of the13CO R(0) and R(7) transitions in the fundamental band at temperatures between 80 and 297 K: Comparison between experiment and theory 61
Coupled cluster response functions revisited 61
Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using cholesky decompositions 61
Optical Rotation Calculations for a Set of Pyrrole Compounds 60
Integral direct calculation of CC2 excitation energies: singlet excited states of benzene 60
Ground state benzene-argon intermolecular potential energy surface 60
Rovibrational structure of the Ar-CO complex based on a novel three-dimensional ab initio potential 60
Quartic coupled cluster force fields for the diazene isomers 60
Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics 60
Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings 59
Totale 7.277
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Categoria #
all - tutte 52.293
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 52.293
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.074 0 0 0 2 122 131 392 115 146 35 129 2
2020/20211.181 134 3 130 5 130 9 147 163 3 268 3 186
2021/2022961 9 4 8 77 80 4 16 107 57 81 9 509
2022/20233.612 452 213 123 150 97 313 1 928 1.233 16 22 64
2023/20241.430 80 31 125 32 38 784 20 19 147 27 10 117
2024/2025381 185 56 140 0 0 0 0 0 0 0 0 0
Totale 9.639