249 related articles for article (PubMed ID: 15018522)
1. DFT-based pseudo-Jahn-Teller coupling studies on the steric and energetic lone pair effect of four- and five-coordinate halide molecules and complexes with central ions from the fifth, sixth, and seventh main groups.
Atanasov M; Reinen D
Inorg Chem; 2004 Mar; 43(6):1998-2012. PubMed ID: 15018522
[TBL] [Abstract][Full Text] [Related]
2. The stability and eventual lone pair distortion of the hexahalide complexes and molecules of the fifth to eighth main-group elements with one lone pair, as isolated entities or in oligomeric clusters: a vibronic coupling and DFT study.
Atanasov M; Reinen D
Inorg Chem; 2005 Jul; 44(14):5092-103. PubMed ID: 15998038
[TBL] [Abstract][Full Text] [Related]
3. DFT-based studies on the Jahn-Teller effect in 3d hexacyanometalates with orbitally degenerate ground states.
Atanasov M; Comba P; Daul CA; Hauser A
J Phys Chem A; 2007 Sep; 111(37):9145-63. PubMed ID: 17718456
[TBL] [Abstract][Full Text] [Related]
4. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
García-Fernández P; García-Canales L; García-Lastra JM; Junquera J; Moreno M; Aramburu JA
J Chem Phys; 2008 Sep; 129(12):124313. PubMed ID: 19045029
[TBL] [Abstract][Full Text] [Related]
5. Predictive concept for lone-pair distortions - DFT and vibronic model studies of AXn-(n-3) molecules and complexes (A = NIII to BiIII; X = F-I to I-I; n = 3-6).
Atanasov M; Reinen D
J Am Chem Soc; 2002 Jun; 124(23):6693-705. PubMed ID: 12047189
[TBL] [Abstract][Full Text] [Related]
6. The Jahn-Teller effect in CH(3)CN(+) (X(2)E) and CD(3)CN(+) (X(2)E) studied by zero kinetic energy photoelectron spectroscopy.
Yang J; Zhou C; Mo Y
J Phys Chem A; 2005 Nov; 109(44):9964-8. PubMed ID: 16838913
[TBL] [Abstract][Full Text] [Related]
7. Diradicals, antiaromaticity, and the pseudo-Jahn-Teller effect: electronic and rovibronic structures of the cyclopentadienyl cation.
Wörner HJ; Merkt F
J Chem Phys; 2007 Jul; 127(3):034303. PubMed ID: 17655439
[TBL] [Abstract][Full Text] [Related]
8. Theoretical Study of the Jahn-Teller effect in CH3CN+ (X2E) and CD3CN+ (X2E): multimode spin-vibronic energy level calculations.
Zhang S; Mo Y
J Phys Chem A; 2009 Oct; 113(41):10947-54. PubMed ID: 19761196
[TBL] [Abstract][Full Text] [Related]
9. Combined ligand field and density functional theory analysis of the magnetic anisotropy in oligonuclear complexes based on Fe(III)-CN-M(II) exchange-coupled pairs.
Atanasov M; Comba P; Daul CA
Inorg Chem; 2008 Apr; 47(7):2449-63. PubMed ID: 18302331
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. The Jahn-Teller and pseudo-Jahn-Teller effects in the anion photoelectron spectroscopy of B3 cluster.
Venkatesan TS; Deepika K; Mahapatra S
J Comput Chem; 2006 Jul; 27(10):1093-100. PubMed ID: 16691569
[TBL] [Abstract][Full Text] [Related]
12. Structure and bonding of the vanadium(III) hexa-aqua cation. 2. Manifestation of dynamical Jahn-Teller coupling in axially distorted vanadium(III) complexes.
Tregenna-Piggott PL; Carver G
Inorg Chem; 2004 Dec; 43(25):8061-71. PubMed ID: 15578845
[TBL] [Abstract][Full Text] [Related]
13. Electronic structure of carbon trioxide and vibronic interactions involving Jahn-Teller states.
Kowalczyk T; Krylov AI
J Phys Chem A; 2007 Aug; 111(33):8271-6. PubMed ID: 17661455
[TBL] [Abstract][Full Text] [Related]
14. The Jahn-Teller effect in the lower electronic states of benzene cation. III. The ground-state vibrations of C6H6+ and C6D6+.
Burrill AB; Chung YK; Mann HA; Johnson PM
J Chem Phys; 2004 May; 120(18):8587-99. PubMed ID: 15267786
[TBL] [Abstract][Full Text] [Related]
15. Higher order (A+E) multiply sign in circle e pseudo-Jahn-Teller coupling.
Eisfeld W; Viel A
J Chem Phys; 2005 May; 122(20):204317. PubMed ID: 15945734
[TBL] [Abstract][Full Text] [Related]
16. Seams near seams: the Jahn-Teller effect in the 1E" state of N3+.
Dillon JJ; Yarkony DR
J Chem Phys; 2007 Mar; 126(12):124113. PubMed ID: 17411114
[TBL] [Abstract][Full Text] [Related]
17. Electronic structure and FeNO conformation of nonheme iron-thiolate-NO complexes: an experimental and DFT study.
Conradie J; Quarless DA; Hsu HF; Harrop TC; Lippard SJ; Koch SA; Ghosh A
J Am Chem Soc; 2007 Aug; 129(34):10446-56. PubMed ID: 17685516
[TBL] [Abstract][Full Text] [Related]
18. Nonadiabatic effects in the photoelectron spectrum of the pyrazolide-d3 anion: three-state interactions in the pyrazolyl-d3 radical.
Ichino T; Gianola AJ; Lineberger WC; Stanton JF
J Chem Phys; 2006 Aug; 125(8):084312. PubMed ID: 16965017
[TBL] [Abstract][Full Text] [Related]
19. Structure and bonding in silver halides. A quantum chemical study of the monomers: Ag(2)X, AgX, AgX(2), and AgX(3) (X = F, Cl, Br, I).
Müller-Rösing HC; Schulz A; Hargittai M
J Am Chem Soc; 2005 Jun; 127(22):8133-45. PubMed ID: 15926841
[TBL] [Abstract][Full Text] [Related]
20. The structures of tellurium(IV) halides in the gas phase and as solvated molecules.
Shlykov SA; Giricheva NI; Titov AV; Szwak M; Lentz D; Girichev GV
Dalton Trans; 2010 Apr; 39(13):3245-55. PubMed ID: 20449454
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
