Pragya Verma

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Katkıda bulunan yazarlar

Donald TruhlarUniversity of Minnesotaumn.edu üzerinde doğrulanmış e-posta adresine sahip
Laura GagliardiUniversity of Chicagouchicago.edu üzerinde doğrulanmış e-posta adresine sahip
Xiao HeProfessor, School of Chemistry and Molecular Engineering, East China Normal Universityphy.ecnu.edu.cn üzerinde doğrulanmış e-posta adresine sahip
Jeffrey R LONGDepartment of Chemistry, University of California, Berkeleyberkeley.edu üzerinde doğrulanmış e-posta adresine sahip
Joshua BoryczVanderbilt Universityvanderbilt.edu üzerinde doğrulanmış e-posta adresine sahip
Dianne J. XiaoUniversity of Washingtonuw.edu üzerinde doğrulanmış e-posta adresine sahip
Christopher J. CramerUL Research Institutesul.org üzerinde doğrulanmış e-posta adresine sahip
Kyuho LeeCEO at Atomics AIatomics.ai üzerinde doğrulanmış e-posta adresine sahip
Eric BlochIndiana Universityiu.edu üzerinde doğrulanmış e-posta adresine sahip
Craig BrownNISTnist.gov üzerinde doğrulanmış e-posta adresine sahip
Matthew R HudsonAssistant Professor of Chemistry, Stevenson Universitystevenson.edu üzerinde doğrulanmış e-posta adresine sahip
Zoltán VargaDepartment of Chemistry, University of Minnesotaumn.edu üzerinde doğrulanmış e-posta adresine sahip
Soumen GhoshAssistant Professor of Chemistry @IIT Madrasiitm.ac.in üzerinde doğrulanmış e-posta adresine sahip
Jarad A MasonHarvard Universitychemistry.harvard.edu üzerinde doğrulanmış e-posta adresine sahip
Silvia BordigaChemistry Department, Torino Universityunito.it üzerinde doğrulanmış e-posta adresine sahip
Junko YanoLawrence Berkeley National Laboratorylbl.gov üzerinde doğrulanmış e-posta adresine sahip
Valentina Crocella'post-docunito.it üzerinde doğrulanmış e-posta adresine sahip
Francesca BoninoUniversity of Turinunito.it üzerinde doğrulanmış e-posta adresine sahip
Wendy L. QueenProfessor of Chemical Engineering, EPFLepfl.ch üzerinde doğrulanmış e-posta adresine sahip
Rémi MauriceUniv Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) - UMR 6226, 35000 Rennes, Franceuniv-rennes1.fr üzerinde doğrulanmış e-posta adresine sahip

Takip et

Pragya Verma

University of Minnesota

umn.edu üzerinde doğrulanmış e-posta adresine sahip

Computational chemistry


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
Oxidation of ethane to ethanol by N₂O in a metal–organic framework with coordinatively unsaturated iron(II) sites DJ Xiao, ED Bloch, JA Mason, WL Queen, MR Hudson, N Planas, ... Nature chemistry 6 (7), 590-595, 2014	461	2014
Status and challenges of density functional theory P Verma, DG Truhlar Trends in Chemistry 2 (4), 302-318, 2020	351	2020
Combining wave function methods with density functional theory for excited states S Ghosh, P Verma, CJ Cramer, L Gagliardi, DG Truhlar Chemical reviews 118 (15), 7249-7292, 2018	230	2018
Revised M06 density functional for main-group and transition-metal chemistry Y Wang, P Verma, X Jin, DG Truhlar, X He Proceedings of the National Academy of Sciences 115 (41), 10257-10262, 2018	198	2018
Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N₂ and CH₄ K Lee, WC Isley III, AL Dzubak, P Verma, SJ Stoneburner, LC Lin, ... Journal of the American Chemical Society 136 (2), 698-704, 2014	193	2014
Mechanism of Oxidation of Ethane to Ethanol at Iron(IV)–Oxo Sites in Magnesium-Diluted Fe₂(dobdc) P Verma, KD Vogiatzis, N Planas, J Borycz, DJ Xiao, JR Long, L Gagliardi, ... Journal of the American Chemical Society 137 (17), 5770-5781, 2015	189	2015
Adsorption on Fe-MOF-74 for C1–C3 hydrocarbon separation P Verma, X Xu, DG Truhlar The Journal of Physical Chemistry C 117 (24), 12648-12660, 2013	150	2013
Nonseparable exchange–correlation functional for molecules, including homogeneous catalysis involving transition metals SY Haoyu, W Zhang, P Verma, X He, DG Truhlar Physical Chemistry Chemical Physics 17 (18), 12146-12160, 2015	148	2015
Assessment of electronic structure methods for the determination of the ground spin states of Fe (II), Fe (III) and Fe (IV) complexes P Verma, Z Varga, JEMN Klein, CJ Cramer, L Que, DG Truhlar Physical Chemistry Chemical Physics 19 (20), 13049-13069, 2017	133	2017
HLE16: A local Kohn–Sham gradient approximation with good performance for semiconductor band gaps and molecular excitation energies P Verma, DG Truhlar The journal of physical chemistry letters 8 (2), 380-387, 2017	107	2017
Reversible dehydrogenation and rehydrogenation of cyclohexane and methylcyclohexane by single-site platinum catalyst L Chen, P Verma, K Hou, Z Qi, S Zhang, YS Liu, J Guo, V Stavila, ... Nature communications 13 (1), 1092, 2022	97	2022
Revised M11 exchange-correlation functional for electronic excitation energies and ground-state properties P Verma, Y Wang, S Ghosh, X He, DG Truhlar The Journal of Physical Chemistry A 123 (13), 2966-2990, 2019	97	2019
Mechanistic insights on N-heterocyclic carbene-catalyzed annulations: the role of base-assisted proton transfers P Verma, PA Patni, RB Sunoj The Journal of Organic Chemistry 76 (14), 5606-5613, 2011	96	2011
HLE17: An improved local exchange–correlation functional for computing semiconductor band gaps and molecular excitation energies P Verma, DG Truhlar The Journal of Physical Chemistry C 121 (13), 7144-7154, 2017	91	2017
Multiconfiguration Pair-Density Functional Theory Predicts Spin-State Ordering in Iron Complexes with the Same Accuracy as Complete Active Space Second-Order Perturbation … L Wilbraham, P Verma, DG Truhlar, L Gagliardi, I Ciofini The Journal of Physical Chemistry Letters, 2017	79	2017
Does DFT+ U mimic hybrid density functionals? P Verma, DG Truhlar Theoretical Chemistry Accounts 135 (8), 182, 2016	72	2016
M06-SX screened-exchange density functional for chemistry and solid-state physics Y Wang, P Verma, L Zhang, Y Li, Z Liu, DG Truhlar, X He Proceedings of the National Academy of Sciences 117 (5), 2294-2301, 2020	71	2020
Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe₂(dobdc) R Maurice, P Verma, JM Zadrozny, S Luo, J Borycz, JR Long, DG Truhlar, ... Inorganic chemistry 52 (16), 9379-9389, 2013	63	2013
Can Kohn–Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules? P Verma, DG Truhlar Physical Chemistry Chemical Physics 19 (20), 12898-12912, 2017	56	2017
M11plus: A range-separated hybrid meta functional with both local and rung-3.5 correlation terms and high across-the-board accuracy for chemical applications P Verma, BG Janesko, Y Wang, X He, G Scalmani, MJ Frisch, DG Truhlar Journal of Chemical Theory and Computation 15 (9), 4804-4815, 2019	33	2019

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