Kenneth Ruud - Dissemin

Papers authored by Kenneth Ruud

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2013 Kenneth Ruud

, Andrew M. Teale

Foreword

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Na Lin, Vincenzo Barone, Chiara Cappelli, Xian Zhao, Kenneth Ruud

, Fabrizio Santoro

Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect

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Shubhrodeep Pathak, Radovan Bast, Kenneth Ruud

Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals

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Na Lin, Harald Solheim, Xian Zhao, Fabrizio Santoro, Kenneth Ruud

First Principles Studies of the Vibrationally Resolved Magnetic Circular Dichroism Spectra of Biphenylene

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Xiaojun Li, Kathrin Helen Hopmann, Jana Hudecová, Johan Isaksson, Jana Novotná, Wenche Stensen, Valery Andrushchenko, Marie Urbanová, John-Sigurd Svendsen, Petr Bouř, Kenneth Ruud

Determination of Absolute Configuration and Conformation of a Cyclic Dipeptide by NMR and Chiral Spectroscopic Methods

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Karina Kornobis, Kenneth Ruud

, Pawel M. Kozlowski

Cob(I)alamin: Insight Into the Nature of Electronically Excited States Elucidated via Quantum Chemical Computations and Analysis of Absorption, CD and MCD Data

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Thomas-C. Jagau, Jürgen Gauss, Kenneth Ruud

Analytic evaluation of the dipole Hessian matrix in coupled-cluster theory

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X. Chen, Z. Rinkevicius, H. Ågren, K. Ruud

, H. Agren

Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic π radicals

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M.-D. Mehboob Alam, Md Mehboob Alam, Mausumi Chattopadhyaya, Swapan Chakrabarti, Kenneth Ruud

Effect of donor–acceptor orientation on solvent-dependent three-photon activity in through-space charge-transfer systems – case study of [2,2]-paracyclophane derivatives

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Maarten T. P. Beerepoot, Arnfinn Hykkerud Steindal, Jacob Kongsted, Bjørn Olav Brandsdal, Luca Frediani, Kenneth Ruud

, Jógvan Magnus Haugaard Olsen

A polarizable embedding DFT study of one-photon absorption in fluorescent proteins

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Michał Jaszuński, Michal Repisky, Taye B. Demissie, Stanislav Komorovsky

, Elena Malkin, Kenneth Ruud

, Piotr Garbacz, Karol Jackowski, Włodzimierz Makulski

Spin-rotation and NMR shielding constants in HCl

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2012 Arnfinn Hykkerud Steindal, Jógvan Magnus Haugaard Olsen

, Luca Frediani, Jacob Kongsted, Kenneth Ruud

Parallelization of the polarizable embedding scheme for higher-order response functions

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Paweł Tecmer, Radovan Bast, Kenneth Ruud, Lucas Visscher

Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4]2-): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?

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Abdelsalam Mohammed, Hans Ågren, Magnus Ringholm, Andreas J. Thorvaldsen, Kenneth Ruud

Hyper Raman spectra calculated in a time-dependent Hartree–Fock method

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M.-D. Mehboob Alam, Mausumi Chattopadhyaya, Swapan Chakrabarti, Kenneth Ruud

High-Polarity Solvents Decreasing the Two-Photon Transition Probability of Through-Space Charge-Transfer Systems — A Surprising In Silico Observation

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Xiaojun Li, Kathrin H. Hopmann, Jana Hudecová, Wenche Stensen, Jana Novotná, Marie Urbanová, John-Sigurd Svendsen, Petr Bouř, Kenneth Ruud

Absolute Configuration of a Cyclic Dipeptide Reflected in Vibrational Optical Activity: Ab Initio and Experimental Investigation

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Shigeki Yamamoto, Xiaojun Li, Kenneth Ruud

, Petr Bouř

Transferability of Various Molecular Property Tensors in Vibrational Spectroscopy

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Thomas Kjaergaard

, Sonia Coriani, Kenneth Ruud

Ab initio calculation of magnetic circular dichroism

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Trygve Helgaker, Sonia Coriani, Poul Jørgensen, Kasper Kristensen

, Jeppe Olsen, Kenneth Ruud

Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

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Kathrin H. Hopmann, Jaroslav Šebestík, Jana Novotná, Wenche Stensen, Marie Urbanová, Johan Svenson, John Sigurd Svendsen, Petr Bouř, Kenneth Ruud

Determining the Absolute Configuration of Two Marine Compounds Using Vibrational Chiroptical Spectroscopy

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Papers authored by Kenneth Ruud