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THEORETICAL AND COMPUTATIONAL CHEMISTRY IN TIMIŞOARA - PAST, PRESENT, FUTURE.

• Authors : Chiriac, Adrian¹; Simon, Zeno¹

• Source: New Frontiers in Chemistry. 2016, Vol. 25 Issue 1, p24-29. 6p.

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Theoretical and Experimental Study of Cooperativity Effects in Noncovalent Interactions

• Authors : Estarellas Martín, Carolina; University/Department: Universitat de les Illes Balears. Departament de Química; ...

Subjects: Interacció Anió–, Interaccions No Covalents, Química Supramolecular, Efectes de Cooperativitat, Estudis teòrics, Química Computacional, Reconeixement Molecular; Interacción Anión–, Interacciones No Covalentes, Química Supramolecular. Efectos de Cooperatividad, Estudios Teóricos, Química Computacional, Reconocimiento Molecular; Anion– Interaction, Noncovalent Interactions, Supramolecular Chemistry, Cooperativity Effects, Theoretical Studies, Computational Chemistry, Molecular Recognition.

• Source: TDX (Tesis Doctorals en Xarxa)

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Germany’s Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL

• Authors : König, C.; Krewald, V.; Roemelt, M.

• Source: International Journal of Quantum Chemistry

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Theoretical and computational chemistry in Italy: an overview.

• Authors : Barone, Vincenzo¹

• Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Jun2007, Vol. 117 Issue 5/6, p599-602. 4p. 1 Diagram.

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Merging Theoretical Spectroscopy & Computational Chemistry: Thermally Activated Delayed Fluorescence (TADF) as a new light-emitting mechanism for OLEDs

• Authors : Sancho-García, Juan C.

Subjects: Espectroscopia; Química computacional; Organic Electronics

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Germany’s Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL

• Authors : König, Carolin; Krewald, Vera; Roemelt, Michael

• Source: International Journal of Quantum Chemistry ; volume 121, issue 3 ; ISSN 0020-7608 1097-461X

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From Macromolecules to Electrons - Grand Challenges in Theoretical and Computational Chemistry

• Authors : Thomas S. Hofer

Subjects: protein folding problem; biomolecular solvation; linear scaling

• Source: Frontiers in Chemistry, Vol 1 (2013)

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Theoretical and Computational Chemistry

• Authors : Markus Meuwly

Subjects: Globins; Molecular dynamics simulations; Organometallics

• Source: CHIMIA, Vol 64, Iss 12 (2010)

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Molecular impurities interacting with a many-particle environment: From ultracold gases to helium nanodroplets ; Theoretical and Computational Chemistry Series

• Authors : Lemeshko, Mikhail; Schmidt, Richard; Dulieu, Oliver

• Source: Lemeshko M, Schmidt R. Molecular impurities interacting with a many-particle environment: From ultracold gases to helium nanodroplets. In: Dulieu O, Osterwalder A, eds. Cold

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Solvation-Enhanced Salt Bridges.

• Authors : Iddon, Ben; Hunter, Christopher A

Subjects: 3405 Organic Chemistry; 34 Chemical Sciences; 3407 Theoretical and Computational Chemistry

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