Items where Author is "Tecmer, P."

Article

Lachmanska, A. and Tecmer, P. and Legeza, Örs and Boguslawski, K. (2019) Elucidating cation-cation interactions in neptunyl dications using multi-reference ab initio theory. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21 (2). pp. 744-759. ISSN 1463-9076

Boguslawski, K. and Real, F. and Tecmer, P. and Duperrouzel, C. and Gomes, A.S.P. and Legeza, Örs (2017) On the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)(2). PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19 (6). pp. 4317-4329. ISSN 1463-9076

Boguslawski, K. and Tecmer, P. and Legeza, Örs (2016) Analysis of two-orbital correlations in wave functions restricted to electron-pair states. PHYSICAL REVIEW B, 94 (15). ISSN 2469-9950

Zhao, Y. L. and Boguslawski, K. and Tecmer, P. and Duperrouzel, C. and Barcza, Gergely and Legeza, Örs (2015) Dissecting the bond-formation process of d(10)-metal-ethene complexes with multireference approaches. THEORETICAL CHEMISTRY ACCOUNTS, 134 (10). ISSN 1432-881X

Duperrouzel, C. and Tecmer, P. and Boguslawski, K. and Barcza, Gergely and Legeza, Örs (2015) A quantum informational approach for dissecting chemical reactions. CHEMICAL PHYSICS LETTERS, 621. pp. 160-164. ISSN 0009-2614

Mottet, M. and Tecmer, P. and Boguslawski, K. and Legeza, Örs and Reiher, M. (2014) Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (19). pp. 8872-8880. ISSN 1463-9076

Tecmer, P. and Boguslawski, K. and Legeza, Örs and Reiher, M. (2014) Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (2). pp. 719-727. ISSN 1463-9076

Boguslawski, K. and Tecmer, P. and Barcza, Gergely and Legeza, Örs and Reiher, M. (2013) Orbital entanglement in bond-formation processes. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9 (7). pp. 2959-2973. ISSN 1549-9618