Accurate and Efficient Parallel Implementation of an Effective Linear-Scaling Direct Random Phase Approximation Method
Graf, Daniel, Beuerle, Matthias, Schurkus, Henry F, Luenser, Arne, Savasci, Gökcen, Ochsenfeld, Christian
Published in Journal of chemical theory and computation (08.05.2018)
Published in Journal of chemical theory and computation (08.05.2018)
Get full text
Journal Article
LEED‑I(V) Structure Analysis of the (7 × √3)rect SO4 Phase on Ag(111): Precursor to the Active Species of the Ag-Catalyzed Ethylene Epoxidation
Wyrwich, Regina, Jones, Travis E, Günther, Sebastian, Moritz, Wolfgang, Ehrensperger, Martin, Böcklein, Sebastian, Zeller, Patrick, Lünser, Arne, Locatelli, Andrea, Menteş, Tevfik Onur, Niño, Miguel Ángel, Knop-Gericke, Axel, Schlögl, Robert, Piccinin, Simone, Wintterlin, Joost
Published in Journal of physical chemistry. C (29.11.2018)
Published in Journal of physical chemistry. C (29.11.2018)
Get full text
Journal Article
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Gan, Zhengting, Lange, Adrian W., Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Horn, Paul R., Jacobson, Leif D., Kaliman, Ilya, Khaliullin, Rustam Z., Kuś, Tomasz, Liu, Jie, Proynov, Emil I., Richard, Ryan M., Rohrdanz, Mary A., Steele, Ryan P., Sundstrom, Eric J., Zimmerman, Paul M., Beran, Gregory J. O., Bernard, Yves A., Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia B., Brown, Shawn T., Chang, Chun-Min, Chen, Yunqing, Chien, Siu Hung, Diedenhofen, Michael, Do, Hainam, Edgar, Richard G., Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus W. D., Harbach, Philipp H. P., Hauser, Andreas W., Hohenstein, Edward G., Jagau, Thomas-C., Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin A., Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline M., Lao, Ka Un, Luenser, Arne, Mao, Shan-Ping, Marenich, Aleksandr V., Maurer, Simon A., Neuscamman, Eric, Oana, C. Melania, Olivares-Amaya, Roberto, Parkhill, John A., Perrine, Trilisa M., Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk R., Sharada, Shaama M., Sharma, Sandeep, Small, David W., Stein, Tamar, Stück, David, Thom, Alex J. W., Tsuchimochi, Takashi, Vanovschi, Vitalii, Vogt, Leslie, Vydrov, Oleg, Wang, Tao, Watson, Mark A., Wenzel, Jan, White, Alec, Williams, Christopher F., Yeganeh, Sina, You, Zhi-Qiang, Brooks, Bernard R., Cramer, Christopher J., Gordon, Mark S., Klamt, Andreas, Schmidt, Michael W., Sherrill, C. David, Truhlar, Donald G., Warshel, Arieh, Xu, Xin, Aspuru-Guzik, Alán, Besley, Nicholas A., Dreuw, Andreas, Dunietz, Barry D., Furlani, Thomas R., Rassolov, Vitaly A., Slipchenko, Lyudmila V., Subotnik, Joseph E., Van Voorhis, Troy, Krylov, Anna I., Gill, Peter M. W., Head-Gordon, Martin
Published in Molecular physics (03.09.2014)
Get full text
Published in Molecular physics (03.09.2014)
Journal Article