822 related articles for article (PubMed ID: 17343472)
1. Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion.
Bachorz RA; Klopper W; Gutowski M
J Chem Phys; 2007 Feb; 126(8):085101. PubMed ID: 17343472
[TBL] [Abstract][Full Text] [Related]
2. Photoelectron spectrum of valence anions of uracil and first-principles calculations of excess electron binding energies.
Bachorz RA; Klopper W; Gutowski M; Li X; Bowen KH
J Chem Phys; 2008 Aug; 129(5):054309. PubMed ID: 18698902
[TBL] [Abstract][Full Text] [Related]
3. Valence and dipole-bound anions of the most stable tautomers of guanine.
Haranczyk M; Gutowski M
J Am Chem Soc; 2005 Jan; 127(2):699-706. PubMed ID: 15643895
[TBL] [Abstract][Full Text] [Related]
4. Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation.
Valeev EF
Phys Chem Chem Phys; 2008 Jan; 10(1):106-13. PubMed ID: 18075688
[TBL] [Abstract][Full Text] [Related]
5. Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements.
Höfener S; Bischoff FA; Glöss A; Klopper W
Phys Chem Chem Phys; 2008 Jun; 10(23):3390-9. PubMed ID: 18535722
[TBL] [Abstract][Full Text] [Related]
6. Valence and diffuse-bound anions of noble-gas complexes with uracil.
Streit L; Dolgounitcheva O; Zakrzewski VG; Ortiz JV
J Chem Phys; 2012 Nov; 137(19):194310. PubMed ID: 23181309
[TBL] [Abstract][Full Text] [Related]
7. On the unusual stability of valence anions of thymine based on very rare tautomers: A computational study.
Mazurkiewicz K; Bachorz RA; Gutowski M; Rak J
J Phys Chem B; 2006 Dec; 110(48):24696-707. PubMed ID: 17134233
[TBL] [Abstract][Full Text] [Related]
8. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
Czakó G; Braams BJ; Bowman JM
J Phys Chem A; 2008 Aug; 112(32):7466-72. PubMed ID: 18651724
[TBL] [Abstract][Full Text] [Related]
9. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
[TBL] [Abstract][Full Text] [Related]
10. Photoelectron spectroscopy of the 6-azauracil anion.
Chen J; Buonaugurio A; Dolgounitcheva O; Zakrzewski VG; Bowen KH; Ortiz JV
J Phys Chem A; 2013 Feb; 117(6):1079-82. PubMed ID: 22724557
[TBL] [Abstract][Full Text] [Related]
11. Anion of the formic acid dimer as a model for intermolecular proton transfer induced by a pi* excess electron.
Bachorz RA; Harańczyk M; Dabkowska I; Rak J; Gutowski M
J Chem Phys; 2005 May; 122(20):204304. PubMed ID: 15945721
[TBL] [Abstract][Full Text] [Related]
12. Accuracy and limitations of second-order many-body perturbation theory for predicting vertical detachment energies of solvated-electron clusters.
Herbert JM; Head-Gordon M
Phys Chem Chem Phys; 2006 Jan; 8(1):68-78. PubMed ID: 16482246
[TBL] [Abstract][Full Text] [Related]
13. A benchmark theoretical study of the electron affinities of benzene and linear acenes.
Hajgató B; Deleuze MS; Tozer DJ; De Proft F
J Chem Phys; 2008 Aug; 129(8):084308. PubMed ID: 19044824
[TBL] [Abstract][Full Text] [Related]
14. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
Lu YX; Zou JW; Fan JC; Zhao WN; Jiang YJ; Yu QS
J Comput Chem; 2009 Apr; 30(5):725-32. PubMed ID: 18727160
[TBL] [Abstract][Full Text] [Related]
15. Structure, stability, thermodynamic properties, and infrared spectra of the protonated water octamer H(+)(H2O)8.
Karthikeyan S; Park M; Shin I; Kim KS
J Phys Chem A; 2008 Oct; 112(41):10120-4. PubMed ID: 18788720
[TBL] [Abstract][Full Text] [Related]
16. Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.
Valeev EF; Daniel Crawford T
J Chem Phys; 2008 Jun; 128(24):244113. PubMed ID: 18601323
[TBL] [Abstract][Full Text] [Related]
17. Analytic calculation of first-order molecular properties at the explicitly correlated second-order Moller-Plesset level: basis-set limits for the molecular quadrupole moments of BH and HF.
Kordel E; Villani C; Klopper W
J Chem Phys; 2005 Jun; 122(21):214306. PubMed ID: 15974737
[TBL] [Abstract][Full Text] [Related]
18. Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil.
Puzzarini C; Barone V
Phys Chem Chem Phys; 2011 Apr; 13(15):7189-97. PubMed ID: 21409277
[TBL] [Abstract][Full Text] [Related]
19. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer.
Tekin A; Jansen G
Phys Chem Chem Phys; 2007 Apr; 9(14):1680-7. PubMed ID: 17396179
[TBL] [Abstract][Full Text] [Related]
20. Conformations of allyl amine: theory vs experiment.
Galabov B; Kim S; Xie Y; Schaefer HF; Leininger ML; Durig JR
J Phys Chem A; 2008 Mar; 112(10):2120-4. PubMed ID: 18247513
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]