146 related articles for article (PubMed ID: 23510205)
1. Experimental and computational study on the structure and properties of Herz cations and radicals: 1,2,3-benzodithiazolium, 1,2,3-benzodithiazolyl, and their Se congeners.
Makarov AY; Blockhuys F; Bagryanskaya IY; Gatilov YV; Shakirov MM; Zibarev AV
Inorg Chem; 2013 Apr; 52(7):3699-710. PubMed ID: 23510205
[TBL] [Abstract][Full Text] [Related]
2. Hydrogen bonding in neutral and cation dimers of H2Se with H2O, H2S, and H2Se.
Joshi R; Ghanty TK; Mukherjee T; Naumov S
J Phys Chem A; 2012 Dec; 116(48):11965-72. PubMed ID: 23134584
[TBL] [Abstract][Full Text] [Related]
3. X-ray crystal structures of [XF(6)][Sb(2)F(11)] (X = Cl, Br, I); (35,37)Cl, (79,81)Br, and (127)I NMR studies and electronic structure calculations of the XF(6)(+) cations.
Lehmann JF; Schrobilgen GJ; Christe KO; Kornath A; Suontamo RJ
Inorg Chem; 2004 Nov; 43(22):6905-21. PubMed ID: 15500329
[TBL] [Abstract][Full Text] [Related]
4. Azidophosphenium cations: versatile reagents in inorganic synthesis.
Hering C; Hertrich M; Schulz A; Villinger A
Inorg Chem; 2014 Apr; 53(7):3880-92. PubMed ID: 24649853
[TBL] [Abstract][Full Text] [Related]
5. Heavy atom analogues of 1,2,3-dithiazolylium salts: preparation, structures and redox chemistry.
Risto M; Assoud A; Winter SM; Oilunkaniemi R; Laitinen RS; Oakley RT
Inorg Chem; 2008 Nov; 47(21):10100-9. PubMed ID: 18841927
[TBL] [Abstract][Full Text] [Related]
6. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
Pai CC; Li AH; Chao SD
J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
[TBL] [Abstract][Full Text] [Related]
7. Theoretical studies on the dimerization of substituted paraphenylenediamine radical cations.
Punyain K; Kelterer AM; Grampp G
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):368-78. PubMed ID: 21925928
[TBL] [Abstract][Full Text] [Related]
8. Study of the thymine molecule: equilibrium structure from joint analysis of gas-phase electron diffraction and microwave data and assignment of vibrational spectra using results of ab initio calculations.
Vogt N; Khaikin LS; Grikina OE; Rykov AN; Vogt J
J Phys Chem A; 2008 Aug; 112(33):7662-70. PubMed ID: 18665577
[TBL] [Abstract][Full Text] [Related]
9. Pulse EPR and ENDOR study of 1,2,3-benzodithiazolyl, 2,1,3-benzothiaselenazolyl and 1,2,3-benzodiselenazolyl radicals.
Pivtsov AV; Kulik LV; Makarov AY; Blockhuys F
Phys Chem Chem Phys; 2011 Mar; 13(9):3873-80. PubMed ID: 21203632
[TBL] [Abstract][Full Text] [Related]
10. Energies, stability and structure properties of radicals derived from organic sulfides containing an acetyl group after the *OH attack: ab initio and DFT calculations vs experiment.
Bergès J; Varmenot N; Scemama A; Abedinzadeh Z; Bobrowski K
J Phys Chem A; 2008 Jul; 112(30):7015-26. PubMed ID: 18610993
[TBL] [Abstract][Full Text] [Related]
11. Molecular structure of 9H-adenine tautomer: gas-phase electron diffraction and quantum-chemical studies.
Vogt N; Dorofeeva OV; Sipachev VA; Rykov AN
J Phys Chem A; 2009 Dec; 113(49):13816-23. PubMed ID: 19863126
[TBL] [Abstract][Full Text] [Related]
12. The syntheses of carbocations by use of the noble-gas oxidant, [XeOTeF5][Sb(OTeF5)6]: the syntheses and characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ cations and theoretical studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5).
Mercier HP; Moran MD; Schrobilgen GJ; Steinberg C; Suontamo RJ
J Am Chem Soc; 2004 May; 126(17):5533-48. PubMed ID: 15113225
[TBL] [Abstract][Full Text] [Related]
13. Molecular orbital calculations of ring opening of the isoelectronic cyclopropylcarbinyl radical, cyclopropoxy radical, and cyclopropylaminium radical cation series of radical clocks.
Cooksy AL; King HF; Richardson WH
J Org Chem; 2003 Nov; 68(24):9441-52. PubMed ID: 14629170
[TBL] [Abstract][Full Text] [Related]
14. Theoretical investigation on 1H and 13C NMR chemical shifts of small alkanes and chloroalkanes.
d'Antuono P; Botek E; Champagne B; Spassova M; Denkova P
J Chem Phys; 2006 Oct; 125(14):144309. PubMed ID: 17042592
[TBL] [Abstract][Full Text] [Related]
15. On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level.
Dabkowska I; Jurecka P; Hobza P
J Chem Phys; 2005 May; 122(20):204322. PubMed ID: 15945739
[TBL] [Abstract][Full Text] [Related]
16. Structure of the photodissociation products of CCl4, CBr4, and CI4 in solution studied by DFT and ab initio calculations.
Kong Q; Wulff M; Bratos S; Vuilleumier R; Kim J; Ihee H
J Phys Chem A; 2006 Sep; 110(38):11178-87. PubMed ID: 16986853
[TBL] [Abstract][Full Text] [Related]
17. Experimental and theoretical investigations of the contact ion pairs formed by reactions of the anions [(EPR2)2N]- (R = (i)Pr, (t)Bu; E = S, Se) with the cations [(TePR2)2N]+ (R = (i)Pr, (t)Bu).
Robertson SD; Chivers T; Tuononen HM
Inorg Chem; 2009 Jul; 48(14):6755-62. PubMed ID: 20507112
[TBL] [Abstract][Full Text] [Related]
18. Efficient bond function basis set for pi-pi interaction energies.
Ding Y; Mei Y; Zhang JZ; Tao FM
J Comput Chem; 2008 Jan; 29(2):275-9. PubMed ID: 17568433
[TBL] [Abstract][Full Text] [Related]
19. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
Nagy PI; Erhardt PW
J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
[TBL] [Abstract][Full Text] [Related]
20. Time-resolved study on the reactions of organic selenides with hydroxyl and oxide radicals, hydrated electrons, and H-atoms in aqueous solution, and DFT calculations of transients in comparison with sulfur analogues.
Tobien T; Bonifacić M; Naumov S; Asmus KD
Phys Chem Chem Phys; 2010 Jul; 12(25):6750-8. PubMed ID: 20431832
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
