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Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry 
Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold; Kvaal, Simen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
n quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schrödinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze ...
Synthesis and antimicrobial activities of N6-hydroxyagelasine analogs and revision of the structure of ageloximes 
Paulsen, Britt; Fredriksen, Kim Alex; Petersen, Dirk; Maes, Louis; Matheeussen, An; Naemi, Ali-Oddin; Scheie, Anne Aamdal; Simm, Roger; Ma, Rui; Wan, Baojie; Franzblau, Scott; Gundersen, Lise-Lotte (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
(+)-N6-Hydroxyagelasine D, the enantiomer of the proposed structure of (–)-ageloxime D, as well as N6-hydroxyagelasine analogs were synthesized by selective N-7 alkylation of N6-[tert-butyl(dimethyl)silyloxy]-9-methyl-9H ...
Highly selective hydrogenation of amides catalysed by a molybdenum pincer complex: scope and mechanism 
Leischner, Thomas; Artus Suarez, Lluis; Spannenberg, Anke; Junge, Kathrin; Nova, Ainara; Beller, Matthias (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
A series of molybdenum pincer complexes has been shown for the first time to be active in the catalytic hydrogenation of amides. Among the tested catalysts, Mo-1a proved to be particularly well suited for the selective C–N ...
Development of custom made bimetallic alloy model systems based on platinum-rhodium for heterogeneous catalysis 
Kumar, Susmit; Waller, David; Fjellvåg, Helmer; Sjåstad, Anja Olafsen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The current study extends the insight into solid-state diffusion in alloys of the Platinum Group Metals (PGMs). Thereby, we pave the way for tailor making surface compositions of binary platinum (Pt) – rhodium (Rh) model ...
Specificity of Escherichia coli heat-Labile enterotoxin investigated by single-site mutagenesis and crystallography 
Heggelund, Julie Elisabeth; Heim, Joel Benjamin; Bajc, Gregor; Hodnik, Vesna; Anderluh, Gregor; Krengel, Ute (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Diarrhea caused by enterotoxigenic Escherichia coli (ETEC) is one of the leading causes of mortality in children under five years of age and is a great burden on developing countries. The major virulence factor of the ...
Controlling luminescence and quenching mechanisms in subnanometer multilayer structure of europium titanate thin films 
Hansen, Per-Anders Stensby; Granerød, Cecilie Skjold; Prytz, Øystein; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We have investigated how layered structures of TiO2 and Eu2O3 on the subnanometer scale control the optical absorption, energy transfer, emission and quenching mechanisms in sensitized lanthanide luminescence systems. By ...
Exploring the overlapping binding sites of ifenprodil and EVT‐101 in GluN2B‐containing NMDA receptors using novel chicken embryo forebrain cultures and molecular modeling 
Fjelldal, Marthe Fredheim; Freyd, Thibaud; Evenseth, Linn; Sylte, Ingebrigt; Ring, Avi; Paulsen, Ragnhild Elisabeth (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
N‐methyl‐d‐aspartate receptors (NMDAR) are widely expressed in the brain. GluN2B subunit‐containing NMDARs has recently attracted significant attention as potential pharmacological targets, with emphasis on the functional ...
Highly Correlated Hydride Ion Tracer Diffusion in SrTiO3–xHx Oxyhydrides 
Liu, Xin; Bjørheim, Tor Svendsen; Vines, Lasse; Fjellvåg, Øystein; Granerød, Cecilie Skjold; Prytz, Øystein; Yamamoto, Takafumi; Kageyama, Hiroshi; Norby, Truls Eivind; Haugsrud, Reidar (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Mixed oxide hydride anion systems constitute a novel class of materials exhibiting intriguing properties such as solid-state hydride ion conduction and fast anion exchange. In this contribution we derive the kinetics of ...
Butyl 3-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)prop­ano­ate 
Kihle, Jan Braly; Görbitz, Carl Henrik (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Millimeter-sized crystalline particles of butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate, C21, magnitudes larger than adherent particulate matter commonly observed during routine filter service inspections, were ...
The coupled-cluster formalism – a mathematical perspective 
Laestadius, Andre; Faulstich, Fabian Maximilian (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The Coupled-Cluster (CC) theory is one of the most successful high precision methods used to solve the stationary Schrödinger equation. In this article, we address the mathematical foundation of this theory with focus on ...
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Date Issued
2019 (69)
Document Type
Tidsskriftartikkel (69)
AuthorNorby, Truls Eivind (9)Fjellvåg, Helmer (6)Wisthaler, Armin (5)Nilsen, Ola (4)Olsbye, Unni (4)... View MorePeer Reviewed
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