These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
112 related articles for article (PubMed ID: 15352800)
21. Moving least-squares enhanced Shepard interpolation for the fast marching and string methods. Burger SK; Liu Y; Sarkar U; Ayers PW J Chem Phys; 2009 Jan; 130(2):024103. PubMed ID: 19154015 [TBL] [Abstract][Full Text] [Related]
22. Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks. Raff LM; Malshe M; Hagan M; Doughan DI; Rockley MG; Komanduri R J Chem Phys; 2005 Feb; 122(8):84104. PubMed ID: 15836017 [TBL] [Abstract][Full Text] [Related]
23. A self-starting method for obtaining analytic potential-energy surfaces from ab initio electronic structure calculations. Agrawal PM; Malshe M; Narulkar R; Raff LM; Hagan M; Bukkapatnum S; Komanduri R J Phys Chem A; 2009 Feb; 113(5):869-77. PubMed ID: 19123779 [TBL] [Abstract][Full Text] [Related]
24. A local interpolation scheme using no derivatives in potential sampling: application to O(1D) + H2 system. Ishida T; Schatz GC J Comput Chem; 2003 Jul; 24(9):1077-86. PubMed ID: 12759907 [TBL] [Abstract][Full Text] [Related]
25. Theoretical study of the dynamics of AR collisions with C2H6 and C2F6 at hyperthermal energy. Tasić U; Hein P; Troya D J Phys Chem A; 2007 May; 111(18):3618-32. PubMed ID: 17429956 [TBL] [Abstract][Full Text] [Related]
26. Classical trajectory study of collisions of Ar with alkanethiolate self-assembled monolayers: potential-energy surface effects on dynamics. Scott Day B; Morris JR; Troya D J Chem Phys; 2005 Jun; 122(21):214712. PubMed ID: 15974767 [TBL] [Abstract][Full Text] [Related]
27. Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X(1)Σ+) → CO2(X̃(1)Σg(+)). Jasper AW; Dawes R J Chem Phys; 2013 Oct; 139(15):154313. PubMed ID: 24160519 [TBL] [Abstract][Full Text] [Related]
28. Using redundant coordinates to represent potential energy surfaces with lower-dimensional functions. Manzhos S; Carrington T J Chem Phys; 2007 Jul; 127(1):014103. PubMed ID: 17627333 [TBL] [Abstract][Full Text] [Related]
29. Potential surfaces and dynamics of the O(3P)+H2O(X1A1)-->OH(X2pi)+OH(X2pi) reaction. Braunstein M; Panfili R; Shroll R; Bernstein L J Chem Phys; 2005 May; 122(18):184307. PubMed ID: 15918704 [TBL] [Abstract][Full Text] [Related]
30. Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes. Wang Q; Hammes-Schiffer S J Chem Phys; 2006 Nov; 125(18):184102. PubMed ID: 17115733 [TBL] [Abstract][Full Text] [Related]
31. Cis-->trans, trans-->cis isomerizations and N-O bond dissociation of nitrous acid (HONO) on an ab initio potential surface obtained by novelty sampling and feed-forward neural network fitting. Le HM; Raff LM J Chem Phys; 2008 May; 128(19):194310. PubMed ID: 18500868 [TBL] [Abstract][Full Text] [Related]
33. Independent trajectory implementation of the semiclassical Liouville method: application to multidimensional reaction dynamics. Roman E; Martens CC J Phys Chem A; 2007 Oct; 111(41):10256-62. PubMed ID: 17636974 [TBL] [Abstract][Full Text] [Related]
34. Ab initio and direct quasiclassical-trajectory study of the F+CH4-->HF+CH3 reaction. Troya D J Chem Phys; 2005 Dec; 123(21):214305. PubMed ID: 16356046 [TBL] [Abstract][Full Text] [Related]
35. Collision energy dependence of the O(1D) + HCl --> OH + Cl(2P) reaction studied by crossed beam scattering and quasiclassical trajectory calculations on ab initio potential energy surfaces. Kohguchi H; Suzuki T; Nanbu S; Ishida T; Mil'nikov GV; Oloyede P; Nakamura H J Phys Chem A; 2008 Feb; 112(5):818-25. PubMed ID: 18189375 [TBL] [Abstract][Full Text] [Related]
37. Efficient global representations of potential energy functions: trajectory calculations of bimolecular gas-phase reactions by multiconfiguration molecular mechanics. Tishchenko O; Truhlar DG J Chem Phys; 2009 Jan; 130(2):024105. PubMed ID: 19154017 [TBL] [Abstract][Full Text] [Related]
38. Quasiclassical trajectory study of the O(3P) + CH4 --> OH + CH3 reaction with a specific reaction parameters semiempirical Hamiltonian. Troya D; García-Molina E J Phys Chem A; 2005 Apr; 109(13):3015-23. PubMed ID: 16833625 [TBL] [Abstract][Full Text] [Related]
39. Accurate potential energy surface and quantum reaction rate calculations for the H+CH4-->H2+CH3 reaction. Wu T; Werner HJ; Manthe U J Chem Phys; 2006 Apr; 124(16):164307. PubMed ID: 16674135 [TBL] [Abstract][Full Text] [Related]
40. On the statistical behavior of the O + OH --> H + O2 reaction: a comparison between quasiclassical trajectory, quantum scattering, and statistical calculations. Jorfi M; Honvault P; Bargueño P; González-Lezana T; Larrégaray P; Bonnet L; Halvick P J Chem Phys; 2009 May; 130(18):184301. PubMed ID: 19449915 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]