130 related articles for article (PubMed ID: 26387588)
1. Theoretical study on interactions of fluorinated organomercurials with arene and gold fragments.
Mendizabal F; Miranda-Rojas S; Barrientos L
Phys Chem Chem Phys; 2015 Oct; 17(39):26417-28. PubMed ID: 26387588
[TBL] [Abstract][Full Text] [Related]
2. Theoretical study on electronic spectra and interaction in [Au3]-L-[Au 3] (L = C6F6,Ag+) complexes.
Mendizabal F; Salazar R
J Mol Model; 2013 May; 19(5):1973-9. PubMed ID: 22940876
[TBL] [Abstract][Full Text] [Related]
3. Insights into Molecular Structures and Optical Properties of Stacked [Au
Rabaâ H; Omary MA; Taubert S; Sundholm D
Inorg Chem; 2018 Jan; 57(2):718-730. PubMed ID: 29278329
[TBL] [Abstract][Full Text] [Related]
4. Synthesis of the molecular amalgam [{AuHg₂(o-C₆F₄)₃}{Hg₃(o-C₆F₄)₃}]⁻: a rare example of a heterometallic homoleptic metallacycle.
Lasanta T; López-de-Luzuriaga JM; Monge M; Olmos ME; Pascual D
Dalton Trans; 2016 Apr; 45(15):6334-8. PubMed ID: 26983855
[TBL] [Abstract][Full Text] [Related]
5. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
Göltl F; Grüneis A; Bučko T; Hafner J
J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
[TBL] [Abstract][Full Text] [Related]
6. Spacer separated donor-acceptor complexes [D→C6F4→BF3] (D = Xe, CO, N2) and the dication [Xe→C6F4←Xe]2+. A theoretical study.
Goedecke C; Sitt R; Frenking G
Inorg Chem; 2012 Nov; 51(21):11259-65. PubMed ID: 23066811
[TBL] [Abstract][Full Text] [Related]
7. Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions.
Bachorz RA; Bischoff FA; Höfener S; Klopper W; Ottiger P; Leist R; Frey JA; Leutwyler S
Phys Chem Chem Phys; 2008 May; 10(19):2758-66. PubMed ID: 18464991
[TBL] [Abstract][Full Text] [Related]
8. Face-to-face stacks of trinuclear gold(I) trihalides with benzene, hexafluorobenzene, and borazine: impact of aromaticity on stacking interactions.
Tsipis AC; Stalikas AV
Inorg Chem; 2013 Jan; 52(2):1047-60. PubMed ID: 23270385
[TBL] [Abstract][Full Text] [Related]
9. Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study.
Hansen N; Kerber T; Sauer J; Bell AT; Keil FJ
J Am Chem Soc; 2010 Aug; 132(33):11525-38. PubMed ID: 20677757
[TBL] [Abstract][Full Text] [Related]
10. Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η(5)-C5H5)(CO)2M≡EN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): a dispersion-corrected DFT study.
Pandey KK; Patidar P; Bariya PK; Patidar SK; Vishwakarma R
Dalton Trans; 2014 Jul; 43(26):9955-67. PubMed ID: 24850167
[TBL] [Abstract][Full Text] [Related]
11. On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H···π): WFT and DFT Calculations.
Riley KE; Pitoňák M; Černý J; Hobza P
J Chem Theory Comput; 2010 Jan; 6(1):66-80. PubMed ID: 26614320
[TBL] [Abstract][Full Text] [Related]
12. Electronic and optical properties of [Au(CH
Mendizabal F; Miranda-Rojas S
RSC Adv; 2020 Sep; 10(55):33549-33557. PubMed ID: 35515021
[TBL] [Abstract][Full Text] [Related]
13. Treating dispersion effects in extended systems by hybrid MP2:DFT calculations--protonation of isobutene in zeolite ferrierite.
Tuma C; Sauer J
Phys Chem Chem Phys; 2006 Sep; 8(34):3955-65. PubMed ID: 17028686
[TBL] [Abstract][Full Text] [Related]
14. Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions.
Morgado CA; Jurecka P; Svozil D; Hobza P; Sponer J
Phys Chem Chem Phys; 2010 Apr; 12(14):3522-34. PubMed ID: 20336251
[TBL] [Abstract][Full Text] [Related]
15. Interactions of small gold clusters, Aun (n=1-3), with graphyne: theoretical investigation.
Azizi E; Tehrani ZA; Jamshidi Z
J Mol Graph Model; 2014 Nov; 54():80-9. PubMed ID: 25459759
[TBL] [Abstract][Full Text] [Related]
16. The Perfluoro-o-phenylene-mercury Trimer [Hg(o-C6F4)]3 - a Textbook Example of Phase-Dependent Structural Differences.
Giricheva N; Tverdova NV; Otlyotov AA; Girichev GV; Lamm JH; Mitzel NW
Chemistry; 2024 Jun; ():e202401575. PubMed ID: 38856096
[TBL] [Abstract][Full Text] [Related]
17. Accurate quantum chemical energies for the interaction of hydrocarbons with oxide surfaces: CH(4)/MgO(001).
Tosoni S; Sauer J
Phys Chem Chem Phys; 2010 Nov; 12(42):14330-40. PubMed ID: 20886145
[TBL] [Abstract][Full Text] [Related]
18. Calculations on noncovalent interactions and databases of benchmark interaction energies.
Hobza P
Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
[TBL] [Abstract][Full Text] [Related]
19. On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C(60) fullerene with a rare gas atom.
Hesselmann A; Korona T
Phys Chem Chem Phys; 2011 Jan; 13(2):732-43. PubMed ID: 21046038
[TBL] [Abstract][Full Text] [Related]
20. Effects of density functionals and dispersion interactions on geometries, bond energies and harmonic frequencies of EUX3 (E=N, P, CH; X=H, F, Cl).
Pandey KK; Patidar P; Patidar SK; Vishwakarma R
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():846-55. PubMed ID: 25014545
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
