Urmăriți
Robert A. DiStasio Jr.
Robert A. DiStasio Jr.
Associate Professor, Chemistry and Chemical Biology, Cornell University
Adresă de e-mail confirmată pe cornell.edu - Pagina de pornire
Titlu
Citat de
Citat de
Anul
Advanced capabilities for materials modelling with Quantum ESPRESSO
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
81602017
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
32372015
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
29892006
Accurate and efficient method for many-body van der Waals interactions
A Tkatchenko, RA DiStasio Jr, R Car, M Scheffler
Physical review letters 108 (23), 236402, 2012
16222012
Current status of the AMOEBA polarizable force field
JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ...
The journal of physical chemistry B 114 (8), 2549-2564, 2010
15632010
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
9182021
Long-range correlation energy calculated from coupled atomic response functions
A Ambrosetti, AM Reilly, RA DiStasio, A Tkatchenko
The Journal of chemical physics 140 (18), 2014
7072014
Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Structural Science 72 (4), 439-459, 2016
6422016
First-principles models for van der Waals interactions in molecules and materials: Concepts, theory, and applications
J Hermann, RA DiStasio Jr, A Tkatchenko
Chemical Reviews 117 (6), 4714-4758, 2017
5992017
Journal of physics: Conference series
RR Kumar, M Ravichandran, SV Alagarsamy, R Tonndorf, E Gossla, ...
Biomed. Mater 14, 015007, 2019
5872019
Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
Y Yang, CR Peltier, R Zeng, R Schimmenti, Q Li, X Huang, Z Yan, G Potsi, ...
Chemical reviews 122 (6), 6117-6321, 2022
3552022
Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain
S Xie, L Tu, Y Han, L Huang, K Kang, KU Lao, P Poddar, C Park, ...
Science 359 (6380), 1131-1136, 2018
3542018
Dispersion-corrected Møller–Plesset second-order perturbation theory
A Tkatchenko, RA DiStasio, M Head-Gordon, M Scheffler
The Journal of chemical physics 131 (9), 2009
3372009
The Individual and Collective Effects of Exact Exchange and Dispersion Interactions on the Ab Initio Structure of Liquid Water
RA DiStasio Jr, B Santra, Z Li, X Wu, R Car
J. Chem. Phys. 141, 084502, 2014
3082014
Wavelike charge density fluctuations and van der Waals interactions at the nanoscale
A Ambrosetti, N Ferri, RA DiStasio Jr, A Tkatchenko
Science 351 (6278), 1171-1176, 2016
3022016
Optimized spin-component scaled second-order Møller-Plesset perturbation theory for intermolecular interaction energies
RA DiStasio Jr, M Head-Gordon
Molecular Physics 105 (8), 1073-1083, 2007
2892007
Collective many-body van der Waals interactions in molecular systems
RA DiStasio Jr, OA von Lilienfeld, A Tkatchenko
Proceedings of the National Academy of Sciences 109 (37), 14791-14795, 2012
2532012
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer
M Chen, L Zheng, B Santra, HY Ko, RA DiStasio Jr, ML Klein, R Car, X Wu
Nature chemistry 10 (4), 413-419, 2018
2482018
Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes
L Song, N Fu, BG Ernst, WH Lee, MO Frederick, RA DiStasio Jr, S Lin
Nature Chemistry 12 (8), 747-754, 2020
2302020
Many-body van der Waals interactions in molecules and condensed matter
RA DiStasio, VV Gobre, A Tkatchenko
Journal of Physics: Condensed Matter 26 (21), 213202, 2014
2272014
Sistemul nu poate realiza operația în acest moment. Încercați din nou mai târziu.
Articole 1–20