Institutt for kjemi: Recent submissions
Now showing items 521-540 of 601
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Parameter-Free Extended Edit Distance
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014)The edit distance is the most famous distance to compute the similarity between two strings of characters. The main drawback of the edit distance is that it is based on local procedures which reflect only a local view of similarity. To remedy this problem we presented in a previous work the extended edit distance, which adds a global view of similarity between two strings. However, the extended edit ... -
Analytic cubic and quartic force fields using density-functional theory
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
One-Step or Two-Step Optimization and the Overfitting Phenomenon:A Case Study on Time Series Classification
(Conference object; Konferansebidrag, 2014)For the last few decades, optimization has been developing at a fast rate. Bio-inspired optimization algorithms are metaheuristics inspired by nature. These algorithms have been applied to solve different problems in engineering, economics, and other domains. Bio-inspired algorithms have also been applied in different branches of information technology such as networking and software engineering. ... -
Shape-dependent electronic excitations in metallic chains
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: The first dipole hyperpolarizability of retinal and related molecules
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014-01-09)We present a general approach for the analytic calculation of pure vibrational contributions to the molecular (hyper)polarizabilities at the density-functional level of theory. The analytic approach allows us to study large molecules, and we apply the new code to the study of the first dipole hyperpolarizabilities of retinal and related molecules. We investigate the importance of electron ... -
Ab initio and relativistic DFT study of spin–rotation and NMR shielding constants in XF6 molecules, X = S, Se, Te, Mo, and W
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
Differential Evolution-Based Weighted Combination of Distance Metrics for k-means Clustering
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
A Hybrid of Bacterial Foraging and Differential Evolution -based Distance of Sequences
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
Rotational averaging of multiphoton absorption cross sections
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
A weighted minimum distance using hybridization of particle swarm optimization and Bacterial Foraging
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
Solvation at surfaces and interfaces: A quantum-mechanical/continuum approach including nonelectrostatic contributions
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014-02-03) -
Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation and Application to the Group 16 Dihydrides H2X (X= O, S, Se, Te, Po)
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014-11-20) -
Adaptive order polynomial algorithm in a multi-wavelet representation scheme
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
A Concise Total Synthesis of Breitfussin A and B
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014) -
Biophysical characterization of the DYRK family. Studies on the kinases DYRK1A and DYRK1B
(Master thesis; Mastergradsoppgave, 2013-11-13)The dual-specificity tyrosine phosphorylation-regulated kinase family (DYRKs) has recently emerged as new therapeutic targets for different kinds of cancer and neurodegenerative diseases. In the latest studies it was shown that DYRK1B plays a key role in cancer cell survival, and its inhibition induces apoptosis of cancer cells. This thesis is about the biophysical characterization of DYRK1B and ... -
A high-throughput, restriction-free cloning and screening strategy based on ccdB-gene replacement
(Journal article; Tidsskriftartikkel; Peer reviewed, 2014)Background In high-throughput demanding fields, such as biotechnology and structural biology, molecular cloning is an essential tool in obtaining high yields of recombinant protein. Here, we address recently developed restriction-free methods in cloning, and present a more cost-efficient protocol that has been optimized to improve both cloning and clone screening. Results In our case study, ... -
Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic pi radicals
(Journal article; Tidsskriftartikkel; Peer reviewed, 2013)By analyzing a set of organic π radicals, we demonstrate that zero-point vibrational corrections give significant contributions to carbon hyperfine coupling constants, in one case even inducing a sign reversal for the coupling constant. We discuss the implications of these findings for the computational analysis of electron paramagnetic spectra based on hyperfine coupling constants evaluated at the ... -
MabCent: Arctic marine bioprospecting in Norway
(Journal article; Tidsskriftartikkel; Peer reviewed, 2013)The deep waters surrounding the coastline of the northern parts of Norway represent an exciting biotope for marine exploration. Dark and cold Arctic water generates a hostile environment where the ability to adapt is crucial to survival. These waters are nonetheless bountiful and a diverse plethora of marine organisms thrive in these extreme conditions, many with the help of specialised ...