KOCH, Henrik
 Distribuzione geografica
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Continente #
NA - Nord America 4.054
EU - Europa 3.848
AS - Asia 916
Continente sconosciuto - Info sul continente non disponibili 35
SA - Sud America 4
OC - Oceania 1
Totale 8.858
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Nazione #
US - Stati Uniti d'America 4.029
IE - Irlanda 1.429
IT - Italia 1.102
SE - Svezia 538
TR - Turchia 457
UA - Ucraina 433
CN - Cina 415
DE - Germania 236
EU - Europa 35
CA - Canada 25
FI - Finlandia 20
NO - Norvegia 20
CH - Svizzera 18
BE - Belgio 14
JP - Giappone 11
IR - Iran 8
GB - Regno Unito 7
VN - Vietnam 7
AT - Austria 6
NL - Olanda 6
PL - Polonia 6
DK - Danimarca 5
IN - India 5
FR - Francia 4
IL - Israele 4
SG - Singapore 3
TW - Taiwan 3
CL - Cile 2
AU - Australia 1
BA - Bosnia-Erzegovina 1
BR - Brasile 1
ES - Italia 1
HK - Hong Kong 1
KH - Cambogia 1
LA - Repubblica Popolare Democratica del Laos 1
PE - Perù 1
RO - Romania 1
RU - Federazione Russa 1
Totale 8.858
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Città #
Dublin 1.427
Jacksonville 993
Pisa 835
Chandler 496
Izmir 456
Lawrence 269
Ashburn 239
Boston 213
Millbury 213
Wilmington 205
New York 156
Dearborn 149
San Mateo 148
Ogden 91
Bremen 88
Beijing 84
Hefei 76
Boardman 74
Scuola 58
Ann Arbor 51
Kunming 39
Nanjing 38
Andover 35
Guangzhou 25
Milan 24
Fairfield 23
Jinan 23
Toronto 23
Seattle 22
Nanchang 20
Helsinki 19
Las Vegas 19
Trondheim 16
Voghera 16
Bern 15
Brussels 14
Norwalk 14
Houston 12
Rome 10
Shenyang 10
Washington 10
Chicago 9
Florence 9
Chongqing 8
Tokyo 8
Dong Ket 7
Hebei 7
Ningbo 7
San Giuliano Terme 7
Woodbridge 7
Wuhan 7
Cusano Milanino 6
Vienna 6
Warsaw 6
Centro 5
Chengdu 5
Fuzhou 5
Laurel 5
Nanning 5
Cambridge 4
Catania 4
Shanghai 4
Wenzhou 4
Zanjan 4
Baotou 3
Changsha 3
Grosseto 3
Oslo 3
San Diego 3
San Paolo di Civitate 3
Serra 3
Shaoxing 3
Signa 3
Simi Valley 3
Taipei 3
Taiyuan 3
Xian 3
Zhengzhou 3
Zurich 3
Amsterdam 2
Battipaglia 2
Berlin 2
Bologna 2
Carrara 2
Changchun 2
Chiyoda-ku 2
Garching 2
Leiden 2
Lucca 2
Paris 2
Pedrengo 2
Pfronten 2
Princeton 2
Tel Aviv 2
Toulouse 2
Zhongxin 2
Aarhus 1
Bangalore 1
Bilgi 1
Brescia 1
Totale 6.970
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Nome #
A theoretical and experimental benchmark study of core-excited states in nitrogen 122
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework 95
Multilevel Density Functional Theory 91
Density-Based Multilevel Hartree-Fock Model 90
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods 88
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex 87
The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients 86
Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties 83
Coupled cluster energy derivatives. Analytic Hessian for the closed-shell coupled cluster singles and doubles wave function: Theory and applications 82
Accurate ab initio density fitting for multiconfigurational self-consistent field methods 82
The Dalton quantum chemistry program system 81
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption 80
The Cotton - Mouton effect of liquid water. Part II: The semi-continuum model 80
Crossing conditions in coupled cluster theory 78
Research note: Scf calculations of the nmr shielding tensor for the ethylenic carbon atom in C3Cl4 78
Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of Ar-2 77
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 77
Benzene-argon S-1 intermolecular potential energy surface 77
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O 76
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions 76
Coupled cluster response calculation of natural chiroptical spectra 75
Tautomerization of Thymine Using Ultraviolet Light 75
Basis-set convergence of correlated calculations on water 74
Basis set limits of the second order Møller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene 73
Accurate ab initio rovibronic spectrum of the X 1 Sigma(+)(g) and B 1 Sigma(+)(u) in Ar-2 73
The effect of intermolecular interactions on the electric properties of helium and argon. III - Quantum statistical calculations of the dielectric second virial coefficients 73
A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model 73
The multilevel CC3 coupled cluster model 73
Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbitals 73
Coupled cluster response functions 72
Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene 72
Accurate intermolecular ground state potential of the Ar-N-2 complex 72
A ReaxFF force field for sodium intrusion in graphitic cathodes 71
The extended CC2 model ECC2 71
Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory 71
Benzene-argon triplet intermolecular potential energy surface 70
Ab initio calculation of optical rotation in (P)-(+)-[4]triangulane 70
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets 70
Accurate Description of Photoionization Dynamical Parameters 70
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models 70
The benzene-argon complex: A ground and excited state ab initio study 70
Surprising cases of divergent behavior in Møller-Plesset perturbation theory 69
Multi-level coupled cluster theory 69
Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes 69
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)) 69
Dynamic CCSD polarisabilities of CHF3 and CHCl3 68
Coupled cluster response theory in parameter subspaces 68
Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence 68
Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene 68
Static polarizabilities and dipole moment derivatives for the closed shell coupled cluster singles and doubles wave function 68
C24: Ring or fullerene? 68
Brueckner coupled cluster response functions 67
Gauge invariant coupled cluster response theory 67
A second-order doubles correction to excitation energies in the random-phase approximation 67
Assessment of density functionals for van der Waals complexes of sodium and benzene 66
Study of the benzene·N2intermolecular potential-energy surface 65
Basis-set convergence in correlated calculations on Ne, N2, and H2O 65
Analytical calculation of full configuration interaction response properties: Application to be 65
Large scale random phase calculations for direct self-consistent field wavefunctions 65
The Hartree–Fock magnetizability of C60 65
The second-order approximate coupled cluster singles and doubles model CC2 65
The helium-, neon-, and argon-cyclopropane van der waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics 64
On the time-dependent Lagrangian approach in quantum chemistry 64
Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids 64
Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges 64
Time-dependent coupled-cluster theory for ultrafast transient-absorption spectroscopy 64
Comment on "The importance of high-order correlation effects for the CO-CO interaction potential" - [Chem. Phys. Lett. 314 (1999) 326] 63
A variational matrix decomposition applied to full configuration-interaction calculations 63
Calculation of frequency-dependent polarizabilities using coupled-cluster response theory 63
Computational and experimental investigation of intermolecular states and forces in the benzene-helium van der Waals complex 63
Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals 62
Resolving the notorious case of conical intersections for coupled cluster dynamics 62
A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models 61
The integral-direct coupled cluster singles and doubles model 61
DIRECT ATOMIC ORBITAL BASED SELF-CONSISTENT-FIELD CALCULATIONS OF NONLINEAR MOLECULAR-PROPERTIES - APPLICATION TO THE FREQUENCY-DEPENDENT HYPERPOLARIZABILITY OF PARA-NITROANILINE 61
The vibrational and temperature dependence of the indirect nuclear spin-spin coupling constants of the oxonium (H3O+) and hydroxyl (OH-) ions 61
Energy-Based Molecular Orbital Localization in a Specific Spatial Region 61
Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes 60
A coupled cluster calculation of the spectrum of urea 60
An efficient algorithm for Cholesky decomposition of electron repulsion integrals 60
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections 59
Random-phase calculations of frequency-dependent polarizabilities and hyperpolarizabilities of long polyene chains 59
Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using cholesky decompositions 59
Branching ratios for the dissociative decay of triplet H2 59
Theoretical electronic absorption and natural circular dichroism spectra of (-)-trans-cyclooctene 59
Observation of ultrafast intersystem crossing in thymine by extreme ultraviolet time-resolved photoelectron spectroscopy 59
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 58
An Orbital Invariant Similarity Constrained Coupled Cluster Model 58
Optical Rotation Calculations for a Set of Pyrrole Compounds 57
Gauge invariance of the coupled cluster oscillator strength 57
Comment on "Response to 'Comment on "Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?" [J. Chem. Phys. 109, 9201 (1998)] 57
Determination of the transition dipole moment μi→b(R) in H2 from the measurement of vibrational wave functions 57
Comparison of coupled-cluster and Brueckner coupled-cluster calculations of molecular properties 57
Coupled cluster response functions revisited 57
Quartic coupled cluster force fields for the diazene isomers 57
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES OF POLYYNES 57
The CCSD(T) model with Cholesky decomposition of orbital energy denominators 57
Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings 56
Polarizabilities of small annulenes from Cholesky CC2 linear response theory 56
Variation of polarizability in the [4n + 2] annulene series: from [22]- to [66]-annulene 56
Totale 6.870
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Categoria #
all - tutte 42.578
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 42.578
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019462 0 0 0 0 0 0 0 0 0 2 2 458
2019/20201.209 11 124 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
2023/20241.284 80 31 125 32 38 784 20 19 147 8 0 0
Totale 9.112