Virtual International Authority File


Kenneth Ruud chimiste norvégien Wikidata

Ruud, Kenneth, 1969- Library of Congress/NACO German National Library NUKAT Center of Warsaw University Library

Ruud, Kenneth BIBSYS

VIAF ID: 182149105999968490314 (Personal)


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Ab-initio beregning av magnetiske egenskaper til molekyler med lukket skall BIBSYS
The ab initio calculation of molecular electric, magnetic and geometric properties. Wikidata
An ab initio investigation of the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution. Wikidata
Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS). Wikidata
Analytic calculations of vibrational hyperpolarizabilities in the atomic orbital basis. Wikidata
Analytic cubic and quartic force fields using density-functional theory. Wikidata
Analytic evaluation of the dipole Hessian matrix in coupled-cluster theory. Wikidata
Arbitrary-Order Density Functional Response Theory from Automatic Differentiation. Wikidata
Bestemmelse av damptrykkskurve for VX-simulanten LT-8 BIBSYS
Calibration of the n-electron valence state perturbation theory approach. Wikidata
Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine. Wikidata
Charge-transfer excitations in uranyl tetrachloride ([UO2Cl4]2-): how reliable are electronic spectra from relativistic time-dependent density functional theory? Wikidata
A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides fromThuiaria breitfussi Wikidata
Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement? Wikidata
Communication: The absolute shielding scales of oxygen and sulfur revisited. Wikidata
Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan. Wikidata
Coupled-cluster calculations of vibrational Raman optical activity spectra. Wikidata
Darmstadtium, roentgenium, and copernicium form strong bonds with cyanide Wikidata
Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions. Wikidata
A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets. Wikidata
Determination of absolute configuration and conformation of a cyclic dipeptide by NMR and chiral spectroscopic methods. Wikidata
Determination of molecular structure of bisphenylene homologues of BINOL-based phosphoramidites by chiroptical methods. Wikidata
Efficient calculation of ROA tensors with analytical gradients and fragmentation. Wikidata
Explicit versus implicit solvent modeling of Raman optical activity spectra. Wikidata
The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme. Wikidata
Five-Photon Absorption and Selective Enhancement of Multiphoton Absorption Processes Wikidata
Four-component relativistic density functional theory calculations of NMR shielding tensors for paramagnetic systems. Wikidata
The importance of molecular vibrations: the sign change of the optical rotation of methyloxirane. Wikidata
Intermolecular charge transfer enhances two-photon absorption in yellow fluorescent protein. Wikidata
Interplay of twist angle and solvents with two-photon optical channel interference in aryl-substituted BODIPY dyes. Wikidata
Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved. Wikidata
Mercury Methylation by Cobalt Corrinoids: Relativistic Effects Dictate the Reaction Mechanism. Wikidata
New developments in the symmetry-adapted algorithm of the Polarizable Continuum Model. Wikidata
Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements. Wikidata
The optical activity of β,γ-enones in ground and excited states using circular dichroism and circularly polarized luminescence. Wikidata
Origin of Dual-Peak Phosphorescence and Ultralong Lifetime of 4,6-Diethoxy-2-carbazolyl-1,3,5-triazine. Wikidata
Parallelization of the integral equation formulation of the polarizable continuum model for higher-order response functions. Wikidata
Plasmon resonances in linear noble-metal chains. Wikidata
Polarizable density embedding: a new QM/QM/MM-based computational strategy. Wikidata
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins. Wikidata
Porphyrin protonation studied by magnetic circular dichroism. Wikidata
Principles and practices of molecular properties : theory, modeling, and simulations / Patrick Norman, Kenneth Ruud, Trond Saue. - Hoboken ; Chichester, 2018. Library of Congress/NACO NUKAT Center of Warsaw University Library
Rotational averaging of multiphoton absorption cross sections. Wikidata
Second-harmonic generation of solvated molecules using multiconfigurational self-consistent-field quadratic response theory and the polarizable continuum model. Wikidata
Solvent effects on the conformational distribution and optical rotation of gamma-methyl paraconic acids and esters. Wikidata
Solvent effects on the spin-spin coupling constants of acetylene revisited: supermolecular and polarizable continuum model calculations. Wikidata
Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule. Wikidata
Spin-rotation and NMR shielding constants in XF molecules (X = B, Al, Ga, In, and Tl). Wikidata
Structure, NMR and Electronic Spectra of [m.n]Paracyclophanes with Varying Bridges Lengths (m, n = 2-4). Wikidata
Superlinear scaling in master-slave quantum chemical calculations using in-core storage of two-electron integrals. Wikidata
TDDFT diagnostic testing and functional assessment for triazene chromophores. Wikidata
Vibrational effects on molecular properties in large molecules BIBSYS
X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac-Kohn-Sham density matrix. Wikidata
Zero-point vibrational effects on proton shieldings: functional-group contributions from ab initio calculations. Wikidata

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