KOCH, Henrik
 Distribuzione geografica
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Continente #
NA - Nord America 4.630
EU - Europa 3.892
AS - Asia 1.642
Continente sconosciuto - Info sul continente non disponibili 35
SA - Sud America 19
AF - Africa 3
OC - Oceania 1
Totale 10.222
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Nazione #
US - Stati Uniti d'America 4.604
IE - Irlanda 1.430
IT - Italia 1.117
CN - Cina 716
TR - Turchia 580
SE - Svezia 538
UA - Ucraina 434
SG - Singapore 277
DE - Germania 241
EU - Europa 35
CA - Canada 26
FI - Finlandia 24
ID - Indonesia 23
NO - Norvegia 21
CH - Svizzera 18
BE - Belgio 16
BR - Brasile 13
JP - Giappone 13
GB - Regno Unito 11
NL - Olanda 10
PL - Polonia 9
IR - Iran 8
DK - Danimarca 7
VN - Vietnam 7
AT - Austria 6
IN - India 5
FR - Francia 4
IL - Israele 4
TW - Taiwan 3
BO - Bolivia 2
CL - Cile 2
CZ - Repubblica Ceca 2
PE - Perù 2
PK - Pakistan 2
TN - Tunisia 2
AU - Australia 1
BA - Bosnia-Erzegovina 1
BD - Bangladesh 1
ES - Italia 1
HK - Hong Kong 1
KH - Cambogia 1
LA - Repubblica Popolare Democratica del Laos 1
MA - Marocco 1
RO - Romania 1
RU - Federazione Russa 1
Totale 10.222
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Città #
Dublin 1.428
Jacksonville 993
Pisa 836
Boardman 517
Chandler 496
Izmir 456
Lawrence 269
Ashburn 242
Singapore 239
Boston 213
Millbury 213
Wilmington 205
New York 156
Dearborn 149
San Mateo 148
Istanbul 123
Beijing 110
Ogden 95
Bremen 88
Hefei 76
Scuola 58
Guangzhou 56
Ann Arbor 51
Shanghai 47
Nanjing 41
Kunming 39
Andover 35
Santa Clara 34
Wuhan 30
Milan 24
Toronto 24
Washington 24
Fairfield 23
Helsinki 23
Jakarta 23
Jinan 23
Seattle 22
Nanchang 20
Las Vegas 19
Brussels 16
Trondheim 16
Voghera 16
Bern 15
Norwalk 14
Houston 12
Jiaxing 11
Shenyang 11
Florence 10
Rome 10
Tokyo 10
Chicago 9
Jinhua 9
Warsaw 9
Chongqing 8
Ningbo 8
Dong Ket 7
Hebei 7
San Giuliano Terme 7
Woodbridge 7
Cusano Milanino 6
Nanning 6
Shenzhen 6
Vienna 6
Yiwu 6
Centro 5
Chengdu 5
Fuzhou 5
Laurel 5
North Bergen 5
Amsterdam 4
Cambridge 4
Catania 4
Frankfurt am Main 4
Los Angeles 4
Shaoxing 4
São Paulo 4
Wenzhou 4
Wuxi 4
Zanjan 4
Baotou 3
Bologna 3
Changsha 3
Grosseto 3
Oslo 3
Padova 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
Belo Horizonte 2
Totale 8.036
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Nome #
A theoretical and experimental benchmark study of core-excited states in nitrogen 136
The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients 122
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods 111
Multilevel Density Functional Theory 105
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework 103
Density-Based Multilevel Hartree-Fock Model 101
The Dalton quantum chemistry program system 99
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex 98
The Cotton - Mouton effect of liquid water. Part II: The semi-continuum model 93
Tautomerization of Thymine Using Ultraviolet Light 92
Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties 92
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption 92
Coupled cluster energy derivatives. Analytic Hessian for the closed-shell coupled cluster singles and doubles wave function: Theory and applications 91
Accurate ab initio density fitting for multiconfigurational self-consistent field methods 91
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O 90
Basis-set convergence of correlated calculations on water 90
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions 90
Research note: Scf calculations of the nmr shielding tensor for the ethylenic carbon atom in C3Cl4 89
Benzene-argon S-1 intermolecular potential energy surface 89
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 88
Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of Ar-2 86
Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory 86
Coupled cluster response calculation of natural chiroptical spectra 84
The effect of intermolecular interactions on the electric properties of helium and argon. III - Quantum statistical calculations of the dielectric second virial coefficients 84
Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbitals 84
Crossing conditions in coupled cluster theory 83
Benzene-argon triplet intermolecular potential energy surface 83
Accurate Description of Photoionization Dynamical Parameters 83
Accurate ab initio rovibronic spectrum of the X 1 Sigma(+)(g) and B 1 Sigma(+)(u) in Ar-2 82
A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model 82
Coupled cluster response functions 81
A ReaxFF force field for sodium intrusion in graphitic cathodes 81
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)) 81
Basis set limits of the second order Møller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene 81
The multilevel CC3 coupled cluster model 81
Accurate intermolecular ground state potential of the Ar-N-2 complex 80
The second-order approximate coupled cluster singles and doubles model CC2 80
Static polarizabilities and dipole moment derivatives for the closed shell coupled cluster singles and doubles wave function 79
C24: Ring or fullerene? 79
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets 79
Time-dependent coupled-cluster theory for ultrafast transient-absorption spectroscopy 79
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models 79
The benzene-argon complex: A ground and excited state ab initio study 79
Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene 78
The extended CC2 model ECC2 78
Ab initio calculation of optical rotation in (P)-(+)-[4]triangulane 78
Coupled cluster response theory in parameter subspaces 77
Multi-level coupled cluster theory 77
Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes 77
Basis-set convergence in correlated calculations on Ne, N2, and H2O 76
Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene 76
Brueckner coupled cluster response functions 76
Analytical calculation of full configuration interaction response properties: Application to be 76
An efficient algorithm for Cholesky decomposition of electron repulsion integrals 76
Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence 75
Surprising cases of divergent behavior in Møller-Plesset perturbation theory 75
A variational matrix decomposition applied to full configuration-interaction calculations 75
Gauge invariant coupled cluster response theory 75
A second-order doubles correction to excitation energies in the random-phase approximation 75
Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges 75
Assessment of density functionals for van der Waals complexes of sodium and benzene 75
A coupled cluster calculation of the spectrum of urea 74
Large scale random phase calculations for direct self-consistent field wavefunctions 74
Dynamic CCSD polarisabilities of CHF3 and CHCl3 73
On the time-dependent Lagrangian approach in quantum chemistry 73
Calculation of frequency-dependent polarizabilities using coupled-cluster response theory 73
The Hartree–Fock magnetizability of C60 73
Computational and experimental investigation of intermolecular states and forces in the benzene-helium van der Waals complex 73
The vibrational and temperature dependence of the indirect nuclear spin-spin coupling constants of the oxonium (H3O+) and hydroxyl (OH-) ions 73
Observation of ultrafast intersystem crossing in thymine by extreme ultraviolet time-resolved photoelectron spectroscopy 73
Resolving the notorious case of conical intersections for coupled cluster dynamics 72
Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids 72
A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models 72
Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals 71
The helium-, neon-, and argon-cyclopropane van der waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics 71
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES OF POLYYNES 71
Energy-Based Molecular Orbital Localization in a Specific Spatial Region 71
Study of the benzene·N2intermolecular potential-energy surface 70
Comment on "The importance of high-order correlation effects for the CO-CO interaction potential" - [Chem. Phys. Lett. 314 (1999) 326] 69
DIRECT ATOMIC ORBITAL BASED SELF-CONSISTENT-FIELD CALCULATIONS OF NONLINEAR MOLECULAR-PROPERTIES - APPLICATION TO THE FREQUENCY-DEPENDENT HYPERPOLARIZABILITY OF PARA-NITROANILINE 69
Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics 69
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections 68
Response functions in the CC3 iterative triple excitation model 68
An Orbital Invariant Similarity Constrained Coupled Cluster Model 68
The CCSD(T) model with Cholesky decomposition of orbital energy denominators 68
Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes 67
Variation of polarizability in the [4n + 2] annulene series: from [22]- to [66]-annulene 67
Random-phase calculations of frequency-dependent polarizabilities and hyperpolarizabilities of long polyene chains 67
The integral-direct coupled cluster singles and doubles model 67
Branching ratios for the dissociative decay of triplet H2 67
Theoretical electronic absorption and natural circular dichroism spectra of (-)-trans-cyclooctene 67
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 66
Polarizabilities of small annulenes from Cholesky CC2 linear response theory 66
Coupled cluster response functions revisited 66
Quartic coupled cluster force fields for the diazene isomers 66
Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using cholesky decompositions 66
Optical Rotation Calculations for a Set of Pyrrole Compounds 64
Integral direct calculation of CC2 excitation energies: singlet excited states of benzene 64
Ground state benzene-argon intermolecular potential energy surface 64
Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings 63
Totale 7.903
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Categoria #
all - tutte 58.785
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 58.785
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020950 0 0 0 0 0 131 392 115 146 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
2024/20251.218 185 56 147 202 583 45 0 0 0 0 0 0
Totale 10.476