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- Journal of Chemical Theory and Computation is a peer-reviewed scientific journal, established in 2005 by the American Chemical Society. It is indexed in...5 KB (440 words) - 21:03, 21 September 2024
- "Martini Coarse-Grained Force Field: Extension to Carbohydrates". J. Chem. Theory Comput. 5 (12): 3195–3210. doi:10.1021/ct900313w. PMID 26602504. Uusitalo...12 KB (1,287 words) - 21:13, 20 March 2024
- Functional Approximation Good? Insights from the Left Fukui Function". J. Chem. Theory Comput. 13 (6): 2373–2377. doi:10.1021/acs.jctc.7b00231. hdl:10072/348655...26 KB (2,504 words) - 16:04, 26 June 2024
- Hydrocarbon Nanorods Boris Maryasin, Martin Olbrich, Dirk Trauner and Christian Ochsenfeld J. Chem. Theory Comput., 2015,11(3), 1020-1026 doi:10.1021/ct5011505...6 KB (449 words) - 05:57, 2 March 2024
- Description of Molecular Interactions in Gaseous and Condensed Phases". J. Chem. Theory Comput. 8 (2): 527–541. doi:10.1021/ct200866d. PMID 26596602. F. L. Hirshfeld...15 KB (1,829 words) - 03:23, 18 April 2024
- Highly Efficient, Load-Balanced, and Scalable Molecular Simulation". J Chem Theory Comput. 4 (2): 435–447. doi:10.1021/ct700301q. hdl:11858/00-001M-0000-0012-DDBF-0...12 KB (1,119 words) - 17:28, 25 August 2024
W. L. Robust FEP Protocols for Creating Molecules in Solution. J. Chem. Theory Comput. 2019, 15, 2734-2742. 4.- Qian, Y.; Cabeza de Vaca, I.; Vilseck...6 KB (652 words) - 21:41, 12 September 2024- of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons". J. Chem. Theory Comput. 4 (12): 2030–2048. doi:10.1021/ct800252z. PMID 26620476. Schmidt...8 KB (714 words) - 15:39, 25 September 2024
- Goetz J. Chem. Theory Comput. 2021. "Kenneth Merz". www.chemistry.msu.edu. Retrieved 2021-06-28. "Kenneth Merz named Editor-in-Chief of the Journal of Chemical...15 KB (1,427 words) - 01:21, 11 March 2024
- Saddle Theory: A New Idea for Rate Constant Calculation" (PDF). J. Chem. Theory Comput. 10 (3): 1121–1127. doi:10.1021/ct400970y. PMID 26580187. Chandler...17 KB (2,392 words) - 03:06, 31 May 2024
Equilibrium Angle of Biphenyl: Reconciling Theory with Experiment". J. Chem. Theory Comput. 4 (9): 1460–1471. doi:10.1021/ct800182e. PMID 26621432. B. Testa...14 KB (1,362 words) - 12:55, 17 September 2024
Optimization in Quantum Chemistryand Beyond: A Tribute to Berny Schlegel". J. Chem. Theory Comput. 8 (12): 4853–4855. doi:10.1021/ct300950r. PMID 26593179. "ACS Award...6 KB (504 words) - 20:43, 29 December 2023
by Excluded Cosolutes: Mean Field Theory of Crowded Solutions". J. Chem. Theory Comput. 11 (7): 3478–3490. doi:10.1021/acs.jctc.5b00258. PMID 26575781...21 KB (2,490 words) - 22:18, 12 July 2024- "Trust Region Minimization of Orbital Localization Functions". J. Chem. Theory Comput. 8 (9): 3137–46. doi:10.1021/ct300473g. PMID 26605725. Oddershede...11 KB (1,089 words) - 13:42, 26 October 2023
- Noncollinear Magnetism in Periodic and Nonperiodic Materials". J. Chem. Theory Comput. 7 (12): 4146–4164. doi:10.1021/ct200539n. PMID 26598359. Cavallini...30 KB (3,168 words) - 15:42, 9 January 2024
- Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions" (PDF). J. Chem. Theory Comput. 18 (7): 4304–4317. doi:10.1021/acs.jctc.2c00151. PMC 9283286. PMID 35709391...25 KB (2,369 words) - 15:00, 20 May 2024
- "Behavior of the Position–Spread Tensor in Diatomic Systems". J. Chem. Theory Comput. 9 (12): 5286–5295. doi:10.1021/ct400453b. PMID 26592266. M. El...13 KB (2,031 words) - 20:36, 3 July 2023
of Methylalkalimetal Oligomers (CH3M)n (M = Li−Rb; n = 1, 4)". J. Chem. Theory Comput. 2 (4): 965–980. doi:10.1021/ct050333s. PMID 26633056. Weiss, Erwin...55 KB (5,971 words) - 20:35, 22 July 2024
Systems" J. Chem. Theory Comput., 2013, 9 (11), pp 4959–4972 "APS Fellow Archive: P". American Physical Society. Retrieved 30 March 2018. "The Journal of Physical...28 KB (3,090 words) - 12:06, 5 September 2024
amino acid specificity of fluctuations in biomolecular systems". J. Chem. Theory Comput. 2 (3): 873–8. doi:10.1021/ct050247s. PMID 26626694. Tirion, M.M...36 KB (4,574 words) - 09:39, 22 February 2024
