Blar i Fakultet for naturvitenskap (NV) på tittel
Viser treff 2292-2311 av 12534
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Coupled Cluster for High-Spin Open-Shell Systems - A Mixed Orbital Approach
(Master thesis, 2016)The description of high-spin open-shell systems with coupled cluster (CC) theory presents problems not encountered in the closed-shell case. Spin-contamination and additional computational cost compared to closed-shell ... -
Coupled cluster investigations of spectroscopic properties in molecular and crystalline systems
(Doctoral theses at NTNU;2022:343, Doctoral thesis, 2022)Theoretical studies of spectroscopic properties are of great value, both by themselves and in combination with experiments. The highly accurate coupled cluster methods are attractive options for such studies. Due to their ... -
Coupled cluster methods for nonadiabatic molecular dynamics
(Doctoral theses at NTNU;2020:241, Doctoral thesis, 2020)Reliably predicting nuclear dynamics in excited electronic states requires an accurate representation of the involved electronic states. One challenge in this respect is the correct description of electronic degeneracies, ... -
Coupled cluster theory and strong light-matter coupling
(Doctoral theses at NTNU;2023:354, Doctoral thesis, 2023)Chemical properties and reactivity are influenced by many external factors, such as temperature, pressure, solvents, and electric fields. In spectroscopy, molecules are probed using light, which yields information about ... -
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
(Peer reviewed; Journal article, 2020)We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provides a nonperturbative description of ... -
Coupled Ion Transport in Concentrated PEO-LiTFSI Polymer Electrolytes
(Peer reviewed; Journal article, 2023)Understanding how microscopic mechanisms govern macroscopic transport properties is important for development of improved electrolytes for Li-ion batteries. The archetypal polymer electrolyte PEO–LiTFSI has been investigated ... -
Coupled Transport in Li-ion Battery Electrolytes
(Doctoral theses at NTNU;2024:187, Doctoral thesis, 2024)Electrolytes are materials that contain mobile charge carriers – ions. The electrolyte in lithium-ion batteries enables the transport of positive Li+ ions in between the electrodes during battery operation. The transport ... -
Coupled Transport of Heat, Mass and Charge in Ion Exchange Membranes - Aqueous Chloride Systems Relevant for Harvesting of Low-Grade Waste Heat
(Master thesis, 2018)In this thesis, the theory of classical non-equilibrium thermodynamics is used as a tool for the analysis of transport processes in ion exchange membranes, and for designing experiments for the determination of coupling ... -
Coupled transports of heat and mass at the surface of and inside silicalite
(Doktoravhandlinger ved NTNU, 1503-8181; 2008:266, Doctoral thesis, 2008) The objective of this thesis was to gain a better understanding about the transport of gas and heat across a membrane and to shed light on the coupling effects between heat and mass transfer. As a model ... -
Coupling and competition between ferroelectricity, magnetism, strain, and oxygen vacancies in AMnO3 perovskites
(Journal article; Peer reviewed, 2016)We use first-principles calculations based on density functional theory to investigate the interplay between oxygen vacancies, A-site cation size/tolerance factor, epitaxial strain, ferroelectricity, and magnetism in the ... -
Coupling in the middle atmosphere related to the 2013 major sudden stratospheric warming
(Journal article; Peer reviewed, 2015)The previously reported observation of anomalous eastward gravity wave forcing at mesopause heights around the onset of the January 2013 major sudden stratospheric warming (SSW) over Trondheim, Norway (63° N, 10° E), is ... -
Coupling of the engineered DNA “mutator” to a biosensor as a new paradigm for activation of silent biosynthetic gene clusters in Streptomyces
(Journal article; Peer reviewed, 2021) -
Covalent binding between chitin and protein
(Master thesis, 2015)Chitin is one of the most abundant biopolymers on Earth. The polysaccharide is a linear polymer of β 1,4 linked N-acetyl-D-glucosamine residues. As a structural biopolymer, chitin is mainly occurring in animals with an ... -
Covariant Quantum Electrodynamics in Terms of a Possible Ether Flow
(Theoretical Physics Seminar in Trondheim;4, Chapter, 1971)This paper from 1971 has a special history. At that time the present author was working with the covariant quantization procedure for an electromagnetic field in a dielectric medium. In such a theory, the commutator for ... -
Covarying Behaviours and Innovation in a House Sparrow Metapopulation - Implications for Social Foraging
(Master thesis, 2016)Individuals in populations of many species have been found to differ consistently in suites of correlating behavioural measures. These phenomena appear to be heritable and subject to selection, thus making it as important ... -
COx-free hydrogen production from ammonia – mimicking the activity of Ru catalysts with unsupported Co-Re alloys
(Peer reviewed; Journal article, 2020)On-demand production of hydrogen from ammonia is a challenge limiting the implementation of ammonia as a long term hydrogen vector to overcome the difficulties associated with hydrogen storage. Herein, we present the ... -
cPLA2α Enzyme Inhibition Attenuates Inflammation and Keratinocyte Proliferation
(Journal article, 2020)As a regulator of cellular inflammation and proliferation, cytosolic phospholipase A2 α (cPLA2α) is a promising therapeutic target for psoriasis; indeed, the cPLA2α inhibitor AVX001 has shown efficacy against plaque psoriasis ... -
Cr-doped ZnS for Intermediate Band Solar Cells
(Doktoravhandlinger ved NTNU, 1503-8181; 2014:274, Doctoral thesis, 2014)Intermediate band solar cells (IBSCs) can potentially be highly efficient solar cells. This thesis presents the growth and characterization of highly doped chromium doped zinc sulfide (Cr:ZnS) films for use in IBSCs. The ... -
Cr/Fe ratio by XPS spectra of magnetoelectropolished AISI 316L SS fitted by Gaussian-Lorentzian shape lines
(Journal article; Peer reviewed, 2014)In the paper, the analyses of Fe2p3/2 and chromium Cr2p3/2 XPS spectra with fitting by symmetrical and asymmetrical line shapes, are presented. The calculations are performed on AISI 316L SS biomaterial after magnetoelec ... -
Cr4+: YAG chirped-pulse oscillator
(Journal article; Peer reviewed, 2008)We demonstrate chirped-pulse operation of a Cr :YAG passively mode-locked laser. Different operation regimes of the laser are extensively investigated in the vicinity of zero dispersion both experimentally and numerically. ...