Variational generalized Kohn-Sham approach combining the random-phase-approximation and Green's-function methods von Voora, Vamsee K., Balasubramani, Sree Ganesh, Furche, Filipp

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Noble gas encapsulation into carbon nanotubes: predictions from analytical model and DFT studies von Balasubramani, Sree Ganesh, Singh, Devendra, Swathi, R S

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Exploring the Solvation of Acetic Acid in Water Using Liquid Jet X‑ray Photoelectron Spectroscopy and Core Level Electron Binding Energy Calculations von Bruce, Jared P, Zhang, Kimberly, Balasubramani, Sree Ganesh, Haines, Amanda R, Galhenage, Randima P, Voora, Vamsee K, Furche, Filipp, Hemminger, John C

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Synthesis, Structure, and Magnetism of Tris(amide) [Ln{N(SiMe3)2}3]1− Complexes of the Non‐traditional +2 Lanthanide Ions von Ryan, Austin J., Darago, Lucy E., Balasubramani, Sree Ganesh, Chen, Guo P., Ziller, Joseph W., Furche, Filipp, Long, Jeffrey R., Evans, William J.

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Transition Path Sampling Study of Engineered Enzymes That Catalyze the Morita–Baylis–Hillman Reaction: Why Is Enzyme Design so Difficult? von Balasubramani, Sree Ganesh, Korchagina, Kseniia, Schwartz, Steven

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Transition Path Sampling Based Calculations of Free Energies for Enzymatic Reactions: The Case of Human Methionine Adenosyl Transferase and Plasmodium vivax Adenosine Deaminase von Balasubramani, Sree Ganesh, Schwartz, Steven D.

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Elucidation of the mechanism and the free energy of a Morita-Baylis-Hillman type reaction catalyzed by enzymes using transition path sampling von Ganesh Balasubramani, Sree, Schwartz, Steven D.

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Random-Phase Approximation Methods von Chen, Guo P, Voora, Vamsee K, Agee, Matthew M, Balasubramani, Sree Ganesh, Furche, Filipp

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

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High-Resolution X-ray Photoelectron Spectroscopy of Organometallic (C5H4SiMe3)(3)Ln(III) and [(C5H4SiMe3)(3)Ln(II)](1-) Complexes (Ln = Sm, Eu, Gd, Tb) von Huh, Daniel N., Bruce, Jared P., Balasubramani, Sree Ganesh, Ciccone, Sierra R., Furche, Filipp, Hemminger, John C., Evans, William J.

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Static polarizabilities within the generalized Kohn–Sham semicanonical projected random phase approximation (GKS-spRPA) von Balasubramani, Sree Ganesh, Voora, Vamsee K., Furche, Filipp

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Formation of the End-on Bound Lanthanide Dinitrogen Complexes [(R2N)(3)Ln-N=N-Ln(NR2)(3)](2-) from Divalent [(R2N)(3)Ln](1-) Salts (R = SiMe3) von Ryan, Austin J., Balasubramani, Sree Ganesh, Ziller, Joseph W., Furche, Filipp, Evans, William J.

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Connecting Conformational Motions to Rapid Dynamics in Human Purine Nucleoside Phosphorylase von Frost, Clara F., Balasubramani, Sree Ganesh, Antoniou, Dimitri, Schwartz, Steven D.

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Connection between slow and fast dynamics in human purine nucleoside phosphorylase von Frost, Clara F., Ganesh Balasubramani, Sree, Antoniou, Dimitris, Schwartz, Steven D.

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High-Resolution X‑ray Photoelectron Spectroscopy of Organometallic (C5H4SiMe3)3LnIII and [(C5H4SiMe3)3LnII]1– Complexes (Ln = Sm, Eu, Gd, Tb) von Huh, Daniel N, Bruce, Jared P, Ganesh Balasubramani, Sree, Ciccone, Sierra R, Furche, Filipp, Hemminger, John C, Evans, William J

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High-Resolution X-ray Photoelectron Spectroscopy of Organometallic (C 5 H 4 SiMe 3 ) 3 Ln III and [(C 5 H 4 SiMe 3 ) 3 Ln II ] 1– Complexes (Ln = Sm, Eu, Gd, Tb) von Huh, Daniel N., Bruce, Jared P., Ganesh Balasubramani, Sree, Ciccone, Sierra R., Furche, Filipp, Hemminger, John C., Evans, William J.

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High-Resolution X-ray Photoelectron Spectroscopy of Organometallic (C 5 H 4 SiMe 3 ) 3 Ln III and [(C 5 H 4 SiMe 3 ) 3 Ln II ] 1- Complexes (Ln = Sm, Eu, Gd, Tb) von Huh, Daniel N, Bruce, Jared P, Ganesh Balasubramani, Sree, Ciccone, Sierra R, Furche, Filipp, Hemminger, John C, Evans, William J

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Formation of the End-on Bound Lanthanide Dinitrogen Complexes [(R2N)3Ln–NN–Ln(NR2)3]2– from Divalent [(R2N)3Ln]1– Salts (R = SiMe3) von Ryan, Austin J, Balasubramani, Sree ganesh, Ziller, Joseph W, Furche, Filipp, Evans, William J

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

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