Cristin

2018
1.	Haghdani, Shokouh. Optical rotation from coupled cluster and density functional theories. Trondheim: NTNU 2018 (ISBN 978-82-326-2860-5) ;Volum 2018.128 s. Doktoravhandlinger ved NTNU(31) NTNU Untitled

2.	Heilemann Myhre, Rolf; Thomas J. A., Wolf; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Marcus; Koch, Henrik. A theoretical and experimental benchmark study of core-excited states in nitrogen. Journal of Chemical Physics 2018 ;Volum 148.(6) Suppl. https://aip.scitatio s. 064106-064106 NTNU UiO Untitled
2017
3.	Folkestad, Sarai Dery; Høyvik, Ida-Marie; Koch, Henrik. Multilevel coupled cluster theory for valence and core excited states. 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry; 2017-08-27 - 2017-09-01 NTNU Untitled

4.	Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles. Journal of Physical Chemistry A 2017 ;Volum 121.(5) s. 4765-4777 NTNU Untitled

5.	Høyvik, Ida-Marie; Heilemann Myhre, Rolf; Koch, Henrik. Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models. Journal of Chemical Physics 2017 ;Volum 146.(14) NTNU UiO Untitled

6.	J. A. Wolf, Thomas; Heilemann Myhre, Rolf; P. Cryan, James; Coriani, Sonia; Squibb, Richard; Battistoni, Andrea; Berrah, Nora; Bostedt, Christoph; Bucksbaum, Phil; Coslovich, Giacomo; Feifel, Raimund; J. Gaffney, Kelly; Grilj, Jakob; Martinez, Todd J.; Miyabe, Shungo; Moeller, Stefan P.; Mucke, Melanie; Natan, Adi; Obaid, Razid; Osipov, Timur; Plekan, Oksana; Wang, Song; Koch, Henrik; Gühr, Markus. Probing ultrafast ππ/nπ internal conversion in organic chromophores via K-edge resonant absorption. Nature Communications 2017 ;Volum 8.(1) s. - NTNU Untitled

7.	Kjønstad, Eirik Fadum; Heilemann Myhre, Rolf; Martinez, Todd J.; Koch, Henrik. Crossing conditions in coupled cluster theory. Journal of Chemical Physics 2017 ;Volum 147.(16) NTNU Untitled

8.	Kjønstad, Eirik Fadum; Koch, Henrik. Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics. Journal of Physical Chemistry Letters 2017 ;Volum 8.(19) s. 4801-4807 NTNU Untitled

9.	Koch, Henrik. A Single Electron's Tiny Leap Sets Off 'Molecular Sunscreen' Response. Newswise.com [Internett] 2017-06-22 NTNU Untitled

10.	Sæther, Sandra; Kjærgaard, Thomas; Koch, Henrik; Høyvik, Ida-Marie. Density-Based Multilevel Hartree-Fock Model. Journal of Chemical Theory and Computation 2017 ;Volum 13.(11) s. 5282-5290 NTNU Untitled

11.	Vinje, Jakob; Falck, Merete; Mazzola, Federico; Cooil, Simon Phillip; Koch, Henrik; Høyvik, Ida-Marie; Wells, Justin. Tautomerization of thymine using ultraviolet light. Langmuir 2017 ;Volum 33.(38) s. 9666-9672 NTNU Untitled
2016
12.	Coriani, Sonia; Cukras, Janusz; Myhre, Rolf Heilemann; Koch, Henrik. Coupled Cluster Studies of Photoionization, Photodetach- ment and X-ray Photoabsorption. Photoionization & Photodetachment Gordon Research Conference; 2016-02-07 - 2016-02-12 NTNU Untitled

13.	Dundas, Karen Oda Hjorth. Density-Based Formulation of Multi-Level Hartree-Fock Theory. : NTNU, IKJ 2016 51 s. NTNU Untitled

14.	Falck, Merete. A Study of Thymine to Support Experimentalists. : NTNU-IKJ 2016 102 s. NTNU Untitled

15.	Haghdani, Shokouh; Gautun, Odd Reidar; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations for a Set of Pyrrole Compounds. Journal of Physical Chemistry A 2016 ;Volum 120. s. 7351-7360 NTNU Untitled

16.	Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Implicit and Explicit Solvent Effects on Optical Rotation for Molecules with Internal Hydrogen Bonds. 6th EuCheMs Chemistry Congress; 2016-09-11 - 2016-09-15 NTNU Untitled

17.	Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations for a Group of Fluorinated Alcohols and Amines. 17th Tetrahedron Symposium; 2016-06-28 - 2017-07-01 NTNU Untitled

18.	Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations for Fluorinated Alcohols, Amines, Amides, and Esters. Journal of Physical Chemistry A 2016 ;Volum 120.(40) s. 7973-7986 NTNU Untitled

19.	Haghdani, Shokouh; Åstrand, Per-Olof; Koch, Henrik. Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence. Journal of Chemical Theory and Computation 2016 ;Volum 12. s. 535-548 NTNU Untitled

20.	Heilemann Myhre, Rolf; Coriani, Sonia; Koch, Henrik. Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory. Journal of Chemical Theory and Computation 2016 ;Volum 12.(6) s. 2633-2643 NTNU Untitled

21.	Heilemann Myhre, Rolf; Koch, Henrik. The multilevel CC3 coupled cluster model. Journal of Chemical Physics 2016 ;Volum 145:044111.(4) s. 1-10 NTNU Untitled

22.	Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes. ChemPhysChem 2016 ;Volum 17.(18) s. 2908-2915 NTNU SINTEF Untitled

23.	Hjertenæs, Eirik; Nguyen, Anh Quynh Ngoc; Koch, Henrik. A ReaxFF force field for sodium intrusion in graphitic cathodes. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(46) s. 31431-31440 NTNU Untitled

24.	Hjertenæs, Eirik; Trinh, Thuat; Koch, Henrik. Chemically accurate energy barriers of small gas molecules in through hexagonal water rings. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18. s. 17831-17835 NTNU Untitled

25.	Kjønstad, Eirik F.. Symmetric Coupled Cluster Theory. : NTNU-IKJ 2016 83 s. NTNU Untitled

26.	Kjønstad, Eirik. Symmetric Coupled Cluster Theory. : NTNU 2016 81 s. NTNU Untitled

27.	Myhre, Rolf Heilemann. Multilevel coupled cluster theory. Trondheim: NTNU 2016 ;Volum 2016.242 s. Doktoravhandlinger ved NTNU(267) NTNU Untitled

28.	Olsen, Gerhard Henning. Ferroelectric Tungsten Bronzes. Trondheim: Norwegian University of Science and Technology 2016 (ISBN 978-82-326-1812-5) 192 s. NTNU Untitled

29.	Stakvik, Linda. Using Localized Molecular Orbitals in the Multi-level Coupled Cluster Approach. : NTNU, IKJ 2016 65 s. NTNU Untitled

30.	Wolf, Thomas J. A.; Battistoni, Andrea; Berrah, Nora; Bucksbaum, Philip H.; Coffee, Ryan; Coriani, Sonia; Coslovich, Giacomo; Cryan, James P.; Feifel, Raimund; Gaffney, Kelly; Grilj, Jakob; Koch, Henrik; Martinez, Todd J.; Moeller, S. P.; Mucke, Melanie; Myhre, Rolf Heilemann; Natan, Adi; Obaid, Razib; Osipov, Timur; Plekan, Oksana; Sage, Alexander; Squibb, Richard; Wang, S.; Gühr, Markus. Elucidating the photoprotection mechanism of thymine by transient NEXAFS spectroscopy in the gas phase. Photoionization & Photodetachment Gordon Research Conference; 2016-02-07 - 2016-02-12 NTNU Untitled
2015
31.	Coriani, Sonia; Koch, Henrik. Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework. Journal of Chemical Physics 2015 ;Volum 143.(18) s. - NTNU Untitled

32.	Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations of Fluorinated Alcohols and Amines. Annual Meeting in Quantum and Computational Chemistry; 2015-06-29 - 2015-06-30 NTNU Untitled

33.	Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations of Fluorinated Alcohols and Amines: The Role of Basis Set Convergence. 10th European Conference on Computational Chemistry (EuCO-CC 2015); 2015-08-31 - 2015-09-03 NTNU Untitled

34.	Mehandzhiyski, Aleksandar Yordanov; Riccardi, Enrico; van Erp, Titus Sebastiaan; Koch, Henrik; Åstrand, Per-Olof; Trinh, Thuat; Grimes, Brian Arthur. Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids. Journal of Physical Chemistry A 2015 ;Volum 119.(40) s. 10195-10203 NTNU Untitled
2014
35.	Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonja; Dahle, Pål; Dalskov, Erik K.; Ekström, Ulf Egil; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hattig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenæs, Eirik; Høst, Stine; Høyvik, Ida Marie; Iozzi, Maria Francesca; Jansik, Brannislav; Jensen, Hans-Jørgen Aa.; Jonsson, Dan Johan; Jørgensen, Poul; Kauczor, Johanna; Kirpekar, Sheela; Kjærgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnæs, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf Heilemann; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jogvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas Bondo; Provasi, Patricio F.; Reine, Simen Sommerfelt; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Salek, Pawel; Samson, Claire C. M.; Sanchez de Meras, Alfredo; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn Hykkerud; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik; Tew, David P.; Thorvaldsen, Andreas J.; Thøgersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Ågren, Hans. The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science 2014 ;Volum 4.(3) s. 269-284 FFI MET NR UiO NTNU UiT Untitled

36.	Egidi, Franco; Segado, Mireia; Koch, Henrik; Cappelli, Chiara; Barone, Vincenzo. A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule. Journal of Chemical Physics 2014 ;Volum 141.(22) NTNU Untitled

37.	Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Atomistic simulations in DuraMat. Project Meeting; 2014-05-22 - 2014-05-22 NTNU SINTEF Untitled

38.	Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. DFT calculations of sodium-PAH van der Waals-complexes. Project Meeting; 2014-10-28 - 2014-10-28 NTNU SINTEF Untitled

39.	Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Quantum chemical investigation of sodium diffusion through graphite. MOLEC 2014, European Conference on the Dynamics of Molecular Systems; 2014-08-24 - 2014-08-29 NTNU SINTEF Untitled

40.	Myhre, Rolf Heilemann; Sanchez De Meras, Alfredo M J; Koch, Henrik. Multi-level coupled cluster theory. Journal of Chemical Physics 2014 ;Volum 141.(22) NTNU Untitled

41.	Skjelbred, Kristin Marie. Calculation of Transition Moments Using the Extended Coupled Cluster Model ECC2. : NTNU, IKJ 2014 60 s. NTNU Untitled

42.	Skjelbred, Kristin Marie; Myhre, Rolf Heilemann; Koch, Henrik; de Merás, Alfredo Sánchez. MLCC - Multi Level Coupled Cluster Theory. Norsk kjemisk selskaps landsmøte; 2014-10-29 - 2014-10-30 NTNU Untitled
2013
43.	Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Assessment of density functionals for van der Waals complexes of sodium and benzene. Molecular Physics 2013 ;Volum 111.(9-11) s. 1211-1218 NTNU SINTEF Untitled

44.	Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Atomic simulations in DuraMat. DuraMat group meeting; 2013-09-24 - 2013-09-25 NTNU SINTEF Untitled

45.	Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Quantum chemical investigations of sodium diffusion through graphite. Very Accurate and Large Computations and Applications; 2013-06-09 - 2013-06-12 NTNU SINTEF Untitled

46.	Koch, Henrik. New aspects in multi-level coupled cluster theory. Invited Presentation; 2013-07-24 - 2013-07-24 NTNU Untitled

47.	Koch, Henrik. Second quantization based methods in quantum chemistry I,II,III. Invited Presentation; 2013-01-20 - 2013-01-30 NTNU Untitled

48.	Koch, Henrik; Myhre, Rolf Heilemann; Hjertenæs, Eirik; Sánchez de Merás, Alfredo. Multi-level Coupled Cluster Models. VALCA2013-Very accurate and large computations and applications 2013; 2013-06-09 - 2013-06-12 NTNU Untitled

49.	Myhre, Rolf Heilemann; de Merás, Alfredo Sánchez; Koch, Henrik. The extended CC2 model ECC2. Molecular Physics 2013 ;Volum 111.(9-11) s. 1109-1118 NTNU Untitled

50.	Myhre, Rolf Heilemann. Development and implementation of extended CC2 models. : NTNU, IKJ 2013 103 s. NTNU Untitled

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