551 related articles for article (PubMed ID: 18601342)
1. 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]
2. Ground states of the Mo2, W2, and CrMo molecules: a second and third order multireference perturbation theory study.
Angeli C; Cavallini A; Cimiraglia R
J Chem Phys; 2007 Aug; 127(7):074306. PubMed ID: 17718612
[TBL] [Abstract][Full Text] [Related]
3. A study of the ground state of manganese dimer using quasidegenerate perturbation theory.
Yamamoto S; Tatewaki H; Moriyama H; Nakano H
J Chem Phys; 2006 Mar; 124(12):124302. PubMed ID: 16599669
[TBL] [Abstract][Full Text] [Related]
4. First principles study of the electronic structure and bonding of Mn2.
Tzeli D; Miranda U; Kaplan IG; Mavridis A
J Chem Phys; 2008 Oct; 129(15):154310. PubMed ID: 19045196
[TBL] [Abstract][Full Text] [Related]
5. GVVPT2 multireference perturbation theory description of diatomic scandium, chromium, and manganese.
Tamukong PK; Theis D; Khait YG; Hoffmann MR
J Phys Chem A; 2012 May; 116(18):4590-601. PubMed ID: 22512304
[TBL] [Abstract][Full Text] [Related]
6. The low-lying states of the scandium dimer.
Camacho C; Witek HA; Cimiraglia R
J Chem Phys; 2010 Jun; 132(24):244306. PubMed ID: 20590192
[TBL] [Abstract][Full Text] [Related]
7. Ab initio calculation of the electronic structures of the (7)Sigma+ ground and A (7)Pi and a (5)Sigma+ excited states of MnH.
Tomonari M; Nagashima U; Hirano T
J Chem Phys; 2009 Apr; 130(15):154105. PubMed ID: 19388734
[TBL] [Abstract][Full Text] [Related]
8. Spectroscopic constants and potential energy curves of yttrium carbide (YC).
Suo B; Balasubramanian K
J Chem Phys; 2007 Jun; 126(22):224305. PubMed ID: 17581052
[TBL] [Abstract][Full Text] [Related]
9. Ab initio calculation of the NH(3sigma-)-NH(3sigma-) interaction potentials in the quintet, triplet, and singlet states.
Dhont GS; van Lenthe JH; Groenenboom GC; van der Avoird A
J Chem Phys; 2005 Nov; 123(18):184302. PubMed ID: 16292903
[TBL] [Abstract][Full Text] [Related]
10. Ab initio study of the spectroscopy of AgBr: a CASSCF + Averaged Coupled Pair Functional approach to the lowest excited states including spin-orbit couplings.
Amaro-Estrada JI; Ramírez-Solís A
J Chem Phys; 2009 Sep; 131(12):124308. PubMed ID: 19791882
[TBL] [Abstract][Full Text] [Related]
11. Ab Initio Study of the Electronic Spectrum of the SiO(+) Cation.
Cai Z; François JP
J Mol Spectrosc; 1999 Sep; 197(1):12-18. PubMed ID: 10438636
[TBL] [Abstract][Full Text] [Related]
12. Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer.
Matxain JM; Rezabal E; Lopez X; Ugalde JM; Gagliardi L
J Chem Phys; 2008 May; 128(19):194315. PubMed ID: 18500873
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Potential energy curves and interpretation of electronic spectrum of the rhodium monoxide.
Suo B; Han H; Lei Y; Zhai G; Wang Y; Wen Z
J Chem Phys; 2009 Mar; 130(9):094304. PubMed ID: 19275400
[TBL] [Abstract][Full Text] [Related]
15. A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene.
Boggio-Pasqua M; Bearpark MJ; Klene M; Robb MA
J Chem Phys; 2004 May; 120(17):7849-60. PubMed ID: 15267700
[TBL] [Abstract][Full Text] [Related]
16. Characterization of ground and low-lying excited states of CoO4: a combined matrix isolation and DFT study.
Danset D; Alikhani ME; Manceron L
J Phys Chem A; 2005 Jan; 109(1):105-14. PubMed ID: 16839094
[TBL] [Abstract][Full Text] [Related]
17. Density functional theory and multireference configuration interaction studies on low-lying excited states of TiO2.
Grein F
J Chem Phys; 2007 Jan; 126(3):034313. PubMed ID: 17249877
[TBL] [Abstract][Full Text] [Related]
18. Third-order multireference perturbation theory: the n-electron valence state perturbation-theory approach.
Angeli C; Bories B; Cavallini A; Cimiraglia R
J Chem Phys; 2006 Feb; 124(5):054108. PubMed ID: 16468852
[TBL] [Abstract][Full Text] [Related]
19. Potential-energy surface and van der Waals motions of p-difluorobenzene-argon cation.
Makarewicz J
J Chem Phys; 2005 Jul; 123(4):044307. PubMed ID: 16095358
[TBL] [Abstract][Full Text] [Related]
20. Jahn-Teller effect in van der Waals complexes; Ar-C6H6 + and Ar-C6D6 +.
van der Avoird A; Lotrich VF
J Chem Phys; 2004 Jun; 120(21):10069-83. PubMed ID: 15268029
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
