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.
317 related articles for article (PubMed ID: 21261324)
1. Multireference composite approaches for the accurate study of ground and excited electronic states: C2, N2, and O2. Jiang W; Wilson AK J Chem Phys; 2011 Jan; 134(3):034101. PubMed ID: 21261324 [TBL] [Abstract][Full Text] [Related]
2. An ab initio multireference perturbation theory study on the manganese dimer. Angeli C; Cavallini A; Cimiraglia R J Chem Phys; 2008 Jun; 128(24):244317. PubMed ID: 18601342 [TBL] [Abstract][Full Text] [Related]
4. Computation of potential energy surfaces with the multireference correlation consistent composite approach. Mintz B; Williams TG; Howard L; Wilson AK J Chem Phys; 2009 Jun; 130(23):234104. PubMed ID: 19548708 [TBL] [Abstract][Full Text] [Related]
5. Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory. Falzon CT; Chong DP; Wang F J Comput Chem; 2006 Jan; 27(2):163-73. PubMed ID: 16312016 [TBL] [Abstract][Full Text] [Related]
6. Investigation of low-lying states of oxygen molecule via second-order multireference perturbation theory: a state-specific approach. Chattopadhyay S; Mahapatra US; Chaudhuri RK J Phys Chem A; 2009 May; 113(20):5972-84. PubMed ID: 19400574 [TBL] [Abstract][Full Text] [Related]
7. The relativistic complete active-space second-order perturbation theory with the four-component Dirac Hamiltonian. Abe M; Nakajima T; Hirao K J Chem Phys; 2006 Dec; 125(23):234110. PubMed ID: 17190550 [TBL] [Abstract][Full Text] [Related]
8. Multireference correlation consistent composite approach [MR-ccCA]: toward accurate prediction of the energetics of excited and transition state chemistry. Oyedepo GA; Wilson AK J Phys Chem A; 2010 Aug; 114(33):8806-16. PubMed ID: 20560594 [TBL] [Abstract][Full Text] [Related]
9. Quantum-chemical investigation of the structures and electronic spectra of the nucleic acid bases at the coupled cluster CC2 level. Fleig T; Knecht S; Hättig C J Phys Chem A; 2007 Jun; 111(25):5482-91. PubMed ID: 17542561 [TBL] [Abstract][Full Text] [Related]
10. Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states. Shen J; Li S J Chem Phys; 2009 Nov; 131(17):174101. PubMed ID: 19894992 [TBL] [Abstract][Full Text] [Related]
11. Improved virtual orbital multireference Møller-Plesset study of the ground and excited electronic states of protonated acetylene, C2H3+. Chaudhuri RK; Freed KF J Chem Phys; 2008 Aug; 129(5):054308. PubMed ID: 18698901 [TBL] [Abstract][Full Text] [Related]
12. Performance of W4 theory for spectroscopic constants and electrical properties of small molecules. Karton A; Martin JM J Chem Phys; 2010 Oct; 133(14):144102. PubMed ID: 20949982 [TBL] [Abstract][Full Text] [Related]
13. CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene. Murakami A; Kobayashi T; Goldberg A; Nakamura S J Chem Phys; 2004 Jan; 120(3):1245-52. PubMed ID: 15268250 [TBL] [Abstract][Full Text] [Related]
14. Accurate predictions of the energetics of silicon compounds using the multireference correlation consistent composite approach. Oyedepo GA; Peterson C; Wilson AK J Chem Phys; 2011 Sep; 135(9):094103. PubMed ID: 21913749 [TBL] [Abstract][Full Text] [Related]
15. Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? Pastore M; Helal W; Evangelisti S; Leininger T; Malrieu JP; Maynau D; Angeli C; Cimiraglia R J Chem Phys; 2008 May; 128(17):174102. PubMed ID: 18465905 [TBL] [Abstract][Full Text] [Related]
16. Electronic structure and relative stability of 1:1 Cu-O2 adducts from difference-dedicated configuration interaction calculations. Zapata-Rivera J; Caballol R; Calzado CJ J Comput Chem; 2011 Apr; 32(6):1144-58. PubMed ID: 21387341 [TBL] [Abstract][Full Text] [Related]
17. Multireference second-order perturbation theory: how size consistent is "almost size consistent". Rintelman JM; Adamovic I; Varganov S; Gordon MS J Chem Phys; 2005 Jan; 122(4):44105. PubMed ID: 15740233 [TBL] [Abstract][Full Text] [Related]
18. CASSCF/CASPT2 calculation of the low-lying electronic states of the CH3Se neutral radical and its cation. Song MX; Zhao ZX; Bai FQ; Liu YJ; Zhang HX; Sun CC J Phys Chem A; 2010 Jul; 114(26):7173-8. PubMed ID: 20536214 [TBL] [Abstract][Full Text] [Related]
19. Low-lying quartet electronic states of nitrogen dioxide. Bera PP; Yamaguchi Y; Schaefer HF J Chem Phys; 2007 Nov; 127(17):174303. PubMed ID: 17994814 [TBL] [Abstract][Full Text] [Related]
20. Ab initio study of the excited singlet states of all-trans alpha,omega-diphenylpolyenes with one to seven polyene double bonds: Simulation of the spectral data within Franck-Condon approximation. Mizukami W; Kurashige Y; Ehara M; Yanai T; Itoh T J Chem Phys; 2009 Nov; 131(17):174313. PubMed ID: 19895018 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]