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.
136 related articles for article (PubMed ID: 27043842)
1. Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials. Albernaz AF; Aquilanti V; Barreto PR; Caglioti C; Cruz AC; Grossi G; Lombardi A; Palazzetti F J Phys Chem A; 2016 Jul; 120(27):5315-24. PubMed ID: 27043842 [TBL] [Abstract][Full Text] [Related]
2. Ab initio ground and excited state potential energy surfaces for NO-Kr complex and dynamics of Kr solids with NO impurity. Castro-Palacios JC; Rubayo-Soneira J; Ishii K; Yamashita K J Chem Phys; 2007 Apr; 126(13):134315. PubMed ID: 17430040 [TBL] [Abstract][Full Text] [Related]
3. Clusters of classical water models. Kiss PT; Baranyai A J Chem Phys; 2009 Nov; 131(20):204310. PubMed ID: 19947683 [TBL] [Abstract][Full Text] [Related]
4. Interaction of C Dagdigian PJ J Chem Phys; 2018 Jan; 148(2):024304. PubMed ID: 29331109 [TBL] [Abstract][Full Text] [Related]
5. Global ab initio potential energy surfaces for the O2(3Σg-)+O2(3Σg-) interaction. Bartolomei M; Carmona-Novillo E; Hernández MI; Campos-Martínez J; Hernández-Lamoneda R J Chem Phys; 2010 Sep; 133(12):124311. PubMed ID: 20886936 [TBL] [Abstract][Full Text] [Related]
6. The hydrogen peroxide-rare gas systems: quantum chemical calculations and hyperspherical harmonic representation of the potential energy surface for atom-floppy molecule interactions. Barreto PR; Vilela AF; Lombardi A; Maciel GS; Palazzetti F; Aquilanti V J Phys Chem A; 2007 Dec; 111(49):12754-62. PubMed ID: 17999479 [TBL] [Abstract][Full Text] [Related]
7. Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations. Cappelletti D; Aquilanti V; Bartocci A; Nunzi F; Tarantelli F; Belpassi L; Pirani F J Phys Chem A; 2016 Jul; 120(27):5197-207. PubMed ID: 26938313 [TBL] [Abstract][Full Text] [Related]
8. New ab initio coupled potential energy surfaces for the Br(2P(3∕2), 2P(1∕2)) + H2 reaction. Jiang B; Xie C; Xie D J Chem Phys; 2011 Oct; 135(16):164311. PubMed ID: 22047243 [TBL] [Abstract][Full Text] [Related]
9. Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex. van der Avoird A; Bondo Pedersen T; Dhont GS; Fernández B; Koch H J Chem Phys; 2006 May; 124(20):204315. PubMed ID: 16774340 [TBL] [Abstract][Full Text] [Related]
10. New ab initio potential energy surfaces for the F+ H2 reaction. Li G; Werner HJ; Lique F; Alexander MH J Chem Phys; 2007 Nov; 127(17):174302. PubMed ID: 17994813 [TBL] [Abstract][Full Text] [Related]
11. Toward Chemical Accuracy in the Description of Ion-Water Interactions through Many-Body Representations. I. Halide-Water Dimer Potential Energy Surfaces. Bajaj P; Götz AW; Paesani F J Chem Theory Comput; 2016 Jun; 12(6):2698-705. PubMed ID: 27145081 [TBL] [Abstract][Full Text] [Related]
12. The collision-induced polarizability of a pair of hydrogen molecules. Li X; Ahuja C; Harrison JF; Hunt KL J Chem Phys; 2007 Jun; 126(21):214302. PubMed ID: 17567191 [TBL] [Abstract][Full Text] [Related]
13. Revealing halogen bonding interactions with anomeric systems: an ab initio quantum chemical studies. Lo R; Ganguly B J Mol Graph Model; 2015 Feb; 55():123-33. PubMed ID: 25522359 [TBL] [Abstract][Full Text] [Related]
14. CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule. Barletta P; Shirin SV; Zobov NF; Polyansky OL; Tennyson J; Valeev EF; Császár AG J Chem Phys; 2006 Nov; 125(20):204307. PubMed ID: 17144700 [TBL] [Abstract][Full Text] [Related]
15. Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes. Makarewicz J J Chem Phys; 2008 Nov; 129(18):184310. PubMed ID: 19045406 [TBL] [Abstract][Full Text] [Related]
16. Configuration-Space Sampling in Potential Energy Surface Fitting: A Space-Reduced Bond-Order Grid Approach. Rampino S J Phys Chem A; 2016 Jul; 120(27):4683-92. PubMed ID: 26674105 [TBL] [Abstract][Full Text] [Related]
17. Cross Second Virial Coefficients of the H Hellmann R J Chem Eng Data; 2023 Sep; 68(9):2212-2222. PubMed ID: 37736252 [TBL] [Abstract][Full Text] [Related]
18. Accurate ab initio and "hybrid" potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer. Shank A; Wang Y; Kaledin A; Braams BJ; Bowman JM J Chem Phys; 2009 Apr; 130(14):144314. PubMed ID: 19368452 [TBL] [Abstract][Full Text] [Related]
19. The interaction-induced dipole of H Lee HK; Li X; Miliordos E; Hunt KLC J Chem Phys; 2019 May; 150(20):204307. PubMed ID: 31153183 [TBL] [Abstract][Full Text] [Related]
20. MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfaces. Wang Y; Carter S; Braams BJ; Bowman JM J Chem Phys; 2008 Feb; 128(7):071101. PubMed ID: 18298132 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]