Uncertainty of Prebiotic Scenarios: The Case of the Non-Enzymatic Reverse Tricarboxylic Acid Cycle

por Zubarev, Dmitry Yu, Rappoport, Dmitrij, Aspuru-Guzik, Alán
Publicado 2015

Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions

por Jinich, Adrian, Rappoport, Dmitrij, Dunn, Ian, Sanchez-Lengeling, Benjamin, Olivares-Amaya, Roberto, Noor, Elad, Even, Arren Bar, Aspuru-Guzik, Alán
Publicado 2014

Electronic transition moments of 6-methyl isoxanthopterin—a fluorescent analogue of the nucleic acid base guanine

por Widom, Julia R., Rappoport, Dmitrij, Perdomo-Ortiz, Alejandro, Thomsen, Hanna, Johnson, Neil P., von Hippel, Peter H., Aspuru-Guzik, Alán, Marcus, Andrew H.
Publicado 2013

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

por Balasubramani, Sree Ganesh, Chen, Guo P., Coriani, Sonia, Diedenhofen, Michael, Frank, Marius S., Franzke, Yannick J., Furche, Filipp, Grotjahn, Robin, Harding, Michael E., Hättig, Christof, Hellweg, Arnim, Helmich-Paris, Benjamin, Holzer, Christof, Huniar, Uwe, Kaupp, Martin, Marefat Khah, Alireza, Karbalaei Khani, Sarah, Müller, Thomas, Mack, Fabian, Nguyen, Brian D., Parker, Shane M., Perlt, Eva, Rappoport, Dmitrij, Reiter, Kevin, Roy, Saswata, Rückert, Matthias, Schmitz, Gunnar, Sierka, Marek, Tapavicza, Enrico, Tew, David P., van Wüllen, Christoph, Voora, Vamsee K., Weigend, Florian, Wodyński, Artur, Yu, Jason M.
Publicado 2020

TURBOMOLE: Today and Tomorrow

por Franzke, Yannick J., Holzer, Christof, Andersen, Josefine H., Begušić, Tomislav, Bruder, Florian, Coriani, Sonia, Della Sala, Fabio, Fabiano, Eduardo, Fedotov, Daniil A., Fürst, Susanne, Gillhuber, Sebastian, Grotjahn, Robin, Kaupp, Martin, Kehry, Max, Krstić, Marjan, Mack, Fabian, Majumdar, Sourav, Nguyen, Brian D., Parker, Shane M., Pauly, Fabian, Pausch, Ansgar, Perlt, Eva, Phun, Gabriel S., Rajabi, Ahmadreza, Rappoport, Dmitrij, Samal, Bibek, Schrader, Tim, Sharma, Manas, Tapavicza, Enrico, Treß, Robert S., Voora, Vamsee, Wodyński, Artur, Yu, Jason M., Zerulla, Benedikt, Furche, Filipp, Hättig, Christof, Sierka, Marek, Tew, David P., Weigend, Florian
Publicado 2023