The Dalton quantum chemistry program system-Reference-Cited by-同舟云学术

The Dalton quantum chemistry program system

Published:2013-09-23 Issue:3 Volume:4 Page:269-284
ISSN:1759-0876
Container-title:Wiley Interdisciplinary Reviews: Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Aidas Kestutis¹,Angeli Celestino²,Bak Keld L.³,Bakken Vebjørn⁴,Bast Radovan⁵,Boman Linus⁶,Christiansen Ove⁷,Cimiraglia Renzo²,Coriani Sonia⁸,Dahle Pål⁹,Dalskov Erik K.¹⁰,Ekström Ulf¹¹,Enevoldsen Thomas¹²,Eriksen Janus J.⁷,Ettenhuber Patrick⁷,Fernández Berta¹³,Ferrighi Lara¹⁴,Fliegl Heike¹¹,Frediani Luca¹⁴,Hald Kasper¹⁵,Halkier Asger¹⁶,Hättig Christof¹⁷,Heiberg Hanne¹⁸,Helgaker Trygve¹¹,Hennum Alf Christian¹⁹,Hettema Hinne²⁰,Hjertenaes Eirik²¹,Høst Stinne²²,Høyvik Ida-Marie⁷,Iozzi Maria Francesca²³,Jansík Branislav²⁴,Jensen Hans Jørgen Aa.¹²,Jonsson Dan²⁵,Jørgensen Poul⁷,Kauczor Joanna²⁶,Kirpekar Sheela²⁷,Kjaergaard Thomas⁷,Klopper Wim²⁸,Knecht Stefan²⁹,Kobayashi Rika³⁰,Koch Henrik²¹,Kongsted Jacob¹²,Krapp Andreas³¹,Kristensen Kasper⁷,Ligabue Andrea³²,Lutnaes Ola B.³³,Melo Juan I.³⁴,Mikkelsen Kurt V.³⁵,Myhre Rolf H.²¹,Neiss Christian³⁶,Nielsen Christian B.³⁷,Norman Patrick³⁸,Olsen Jeppe⁷,Olsen Jógvan Magnus H.¹²,Osted Anders³⁹,Packer Martin J.¹²,Pawlowski Filip⁴⁰,Pedersen Thomas B.¹¹,Provasi Patricio F.⁴¹,Reine Simen¹¹,Rinkevicius Zilvinas⁴²,Ruden Torgeir A.⁴³,Ruud Kenneth¹⁴,Rybkin Vladimir V.²⁸,Sałek Pawel⁴⁴,Samson Claire C. M.²⁸,de Merás Alfredo Sánchez⁴⁵,Saue Trond⁴⁶,Sauer Stephan P. A.³⁵,Schimmelpfennig Bernd⁴⁷,Sneskov Kristian⁴⁸,Steindal Arnfinn H.¹⁴,Sylvester-Hvid Kristian O.⁴⁹,Taylor Peter R.⁵⁰,Teale Andrew M.⁵¹,Tellgren Erik I.¹¹,Tew David P.⁵²,Thorvaldsen Andreas J.⁷,Thøgersen Lea⁵³,Vahtras Olav⁵,Watson Mark A.⁵⁴,Wilson David J. D.⁵⁵,Ziolkowski Marcin⁵⁶,Ågren Hans⁵

Affiliation:

1. Department of General Physics and Spectroscopy; Faculty of Physics, Vilnius University; Vilnius Lithuania

2. Department of Chemistry; University of Ferrara; Ferrara Italy

3. Aarhus University School of Engineering; Aarhus Denmark

4. Faculty of Mathematics and Natural Sciences; University of Oslo; Oslo Norway

5. Department of Theoretical Chemistry and Biology, School of Biotechnology; KTH Royal Institute of Technology; Stockholm Sweden

6. EMGS ASA; Trondheim Norway

7. Department of Chemistry; Aarhus University; Aarhus Denmark

8. Department of Chemical and Pharmaceutical Sciences; University of Trieste; Trieste Italy

9. Norwegian Computing Center; Oslo Norway

10. Systematic; Aarhus Denmark

11. CTCC; Department of Chemistry, University of Oslo; Oslo Norway

12. Department of Physics; Chemistry and Pharmacy, University of Southern Denmark; Odense Denmark

13. Department of Physical Chemistry and Center for Research in Biological Chemistry and Molecular Materials (CIQUS); University of Santiago de Compostela; Santiago de Compostela Spain

14. CTCC; Department of Chemistry, UiT The Arctic University of Norway; Tromsø; Norway

15. Danske Bank; Horsens Denmark

16. CSC Scandihealth; Aarhus Denmark

17. Department of Theoretical Chemistry; Ruhr-University Bochum; Bochum Germany

18. Norwegian Meteorological Institute; Oslo Norway

19. Norwegian Defence Research Establishment; Kjeller Norway

20. Department of Philosophy; The University of Auckland; Auckland New Zealand

21. Department of Chemistry; Norwegian University of Science and Technology; Trondheim Norway

22. Department of Geoscience; Aarhus University; Aarhus Denmark

23. University Centre of Information Technology; University of Oslo; Oslo Norway

24. VSB - Technical University of Ostrava; Ostrava Czech Republic

25. High-Performance Computing Group; UiT The Arctic University of Norway; Tromsø; Norway

26. Department of Physics, Chemistry and Biology; Linköping University; Linköping Sweden

27. KVUC; Copenhagen; Denmark

28. Institute of Physical Chemistry; Karlsruhe Institute of Technology; Karlsruhe Germany

29. Laboratory of Physical Chemistry; ETH Zürich; Zürich Switzerland

30. Australian National University Supercomputer Facility; Canberra Australia

31. Jotun A/S; Sandefjord Norway

32. Computer Services: Networks and Systems; University of Modena and Reggio Emilia; Modena Italy

33. Cisco Systems; Lysaker Norway

34. Physics Department, FCEyN-UBA and IFIBA-CONICET; Universidad de Buenos Aires; Buenos Aires Argentina

35. Department of Chemistry; University of Copenhagen; Copenhagen; Denmark

36. Department of Chemistry and Pharmacy; Friedrich-Alexander University Erlangen-Nürnberg; Erlangen Germany

37. Sun Chemical; Køge Denmark

38. Department of Physics; Chemistry and Biology, Linköping University; Linköping Sweden

39. Køge Gymnasium; Køge Denmark

40. Institute of Physics; Kazimierz Wielki University; Bydgoszcz Poland

41. Department of Physics; University of Northeastern and IMIT-CONICET; Corrientes Argentina

42. Department of Theoretical Chemistry and Biology; School of Biotechnology and Swedish e-Science Research Center (SeRC), KTH Royal Institute of Technology; Stockholm Sweden

43. Kjeller Software Community; Oslo Norway

44. PSS9 Development; Cracow Poland

45. Institute of Molecular Science; University of Valencia; Valencia Spain

46. Paul Sabatier University; Toulouse France

47. Institute for Nuclear Waste Disposal; Karlsruhe Institute of Technology; Karlsruhe Germany

48. Danske Bank; Aarhus Denmark

49. Danish Technological Institute Nano- and Microtechnology Production; Taastrup Denmark

50. VLSCI and School of Chemistry; University of Melbourne; Parkville Australia

51. School of Chemistry; University of Nottingham; Nottingham UK

52. School of Chemistry; University of Bristol; Bristol UK

53. CLC bio; Aarhus Denmark

54. Department of Chemistry; Princeton University; Princeton New Jersey

55. Department of Chemistry and La Trobe Institute for Molecular Sciences; La Trobe University; Melbourne Australia

56. CoE for Next Generation Computing; Clemson University; Clemson South Carolina

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Reference155 articles.

1. Jensen HJAa Ågren H Documentation of SIRIUS: A General Purpose Direct Second Order MCSCF Program

2. Orbital energies and negative electron affinities from density functional theory: insight from the integer discontinuity;Teale;J Chem Phys,2008

3. Restricted density functional theory of linear time-dependent properties in open-shell molecules;Rinkevicius;J Chem Phys,2003

4. Time-dependent density functional theory with the generalized restricted-unrestricted approach;Oprea;J Chem Phys,2006

5. MCSCF optimization using the direct, restricted step, second order norm-extended optimization method;Jensen;Chem Phys Lett,1984

Cited by 1334 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Jupyter widgets and extensions for education and research in computational physics and chemistry;Computer Physics Communications;2024-12

2. Experimental and theoretical aspects of magnetic circular dichroism and magnetic circularly polarized luminescence in the UV, visible and IR ranges: A review;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-10

3. Tuning Two-Photon Absorption in Rhodopsin Chromophore via Backbone Modification: The Story Told by CC2 and TD-DFT;Journal of Chemical Theory and Computation;2024-09-13

4. Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/GW, and Wave Function Methods;Journal of Chemical Theory and Computation;2024-09-05

5. Two-photon absorption in bioactive C4-substituted Coumarin derivatives: Impact of electron-withdrawing and donating groups in different environment;Journal of Molecular Structure;2024-09