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TITLE: Professor Zofia Mielke - A Real Women of Science  Full Text
AUTHORS: Fausto, R; Haupa, KA; Biczysko, M; Tarczay, G;
PUBLISHED: 2021, SOURCE: JOURNAL OF MOLECULAR STRUCTURE, VOLUME: 1228
INDEXED IN: Scopus WOS
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TITLE: Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations  Full Text
AUTHORS: Michael H Palmer; Trevor Ridley; Soren Vronning Hoffmann; Nykola C Jones; Marcello Coreno; Monica de Simone; Cesare Grazioli; Malgorzata Biczysko; Alberto Baiardi; Paulo Limao Vieira ;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 142, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef: 31
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TITLE: Accurate ab initio based DMBE potential energy surface for the ground electronic state of N2H2  Full Text
AUTHORS: Poveda, LA; Biczysko, M; Varandas, AJC ;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 131, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 10
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TITLE: Predicting catalysis: Understanding ammonia synthesis from first-principles calculations
AUTHORS: Hellman, A; Baerends, EJ; Biczysko, M; Bligaard, T; Christensen, CH; Clary, DC; Dahl, S; van Harrevelt, R; Honkala, K; Jonsson, H; Kroes, GJ; Luppi, M; Manthe, U; Norskov, JK; Olsen, RA; Rossmeisl, J; Skulason, E; Tautermann, CS; Varandas, AJC ; Vincent, JK;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 110, ISSUE: 36
INDEXED IN: Scopus WOS CrossRef: 111
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TITLE: Accurate MRCI study of ground-state N(2)H(2) potential energy surface  Full Text
AUTHORS: Biczysko, M; Poveda, LA; Varandas, AJC ;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 424, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 17
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TITLE: Single-sheeted double many-body expansion potential energy surface for N2H2 ((1)A) from accurate MRCI calculations
AUTHORS: Biczysko, M; Poveda, LA; Varandas, AJC ;
PUBLISHED: 2005, SOURCE: 230th National Meeting of the American-Chemical-Society in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 230
INDEXED IN: WOS
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TITLE: Computational study of the adsorption energetics and vibrational wavenumbers of NH3 adsorbed on the Ni(111) surface
AUTHORS: Kurten, T; Biczysko, M; Rajamaki, T; Laasonen, K; Halonen, L;
PUBLISHED: 2005, SOURCE: Journal of Physical Chemistry B, VOLUME: 109, ISSUE: 18
INDEXED IN: Scopus CrossRef