1506 related articles for article (PubMed ID: 18535724)
21. XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods.
Lane JR; Kjaergaard HG
J Chem Phys; 2010 May; 132(17):174304. PubMed ID: 20459166
[TBL] [Abstract][Full Text] [Related]
22. Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations.
Köhn A
J Chem Phys; 2010 Nov; 133(17):174118. PubMed ID: 21054017
[TBL] [Abstract][Full Text] [Related]
23. Determining the energy gap between the cis and trans isomers of HO3- using geometry optimization within the anti-Hermitian contracted Schrödinger and coupled cluster methods.
Mazziotti DA
J Phys Chem A; 2007 Dec; 111(49):12635-40. PubMed ID: 17997537
[TBL] [Abstract][Full Text] [Related]
24. Thermodynamic properties of molecular borane amines and the [BH4-][NH4+] salt for chemical hydrogen storage systems from ab initio electronic structure theory.
Dixon DA; Gutowski M
J Phys Chem A; 2005 Jun; 109(23):5129-35. PubMed ID: 16833867
[TBL] [Abstract][Full Text] [Related]
25. Accurate benchmark calculation of the reaction barrier height for hydrogen abstraction by the hydroperoxyl radical from methane. Implications for C(n)H(2n+2) where n = 2 --> 4.
Aguilera-Iparraguirre J; Curran HJ; Klopper W; Simmie JM
J Phys Chem A; 2008 Jul; 112(30):7047-54. PubMed ID: 18610940
[TBL] [Abstract][Full Text] [Related]
26. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
Fry JL; Nizkorodov SA; Okumura M; Roehl CM; Francisco JS; Wennberg PO
J Chem Phys; 2004 Jul; 121(3):1432-48. PubMed ID: 15260688
[TBL] [Abstract][Full Text] [Related]
27. Basis set convergence of the coupled-cluster correction, δ(MP2)(CCSD(T)): best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases.
Marshall MS; Burns LA; Sherrill CD
J Chem Phys; 2011 Nov; 135(19):194102. PubMed ID: 22112061
[TBL] [Abstract][Full Text] [Related]
28. Explicit correlation and intermolecular interactions: investigating carbon dioxide complexes with the CCSD(T)-F12 method.
de Lange KM; Lane JR
J Chem Phys; 2011 Jan; 134(3):034301. PubMed ID: 21261347
[TBL] [Abstract][Full Text] [Related]
29. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
Tsuzuki S; Honda K; Uchimaru T; Mikami M
J Chem Phys; 2006 Mar; 124(11):114304. PubMed ID: 16555885
[TBL] [Abstract][Full Text] [Related]
30. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs.
Jurecka P; Sponer J; Cerný J; Hobza P
Phys Chem Chem Phys; 2006 May; 8(17):1985-93. PubMed ID: 16633685
[TBL] [Abstract][Full Text] [Related]
31. Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets.
Yang J; Hättig C
J Chem Phys; 2009 Aug; 131(7):074102. PubMed ID: 19708727
[TBL] [Abstract][Full Text] [Related]
32. Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment.
Zhang J; Valeev EF
J Chem Theory Comput; 2012 Sep; 8(9):3175-86. PubMed ID: 26605729
[TBL] [Abstract][Full Text] [Related]
33. Explicit correlation and basis set superposition error: the structure and energy of carbon dioxide dimer.
McMahon JD; Lane JR
J Chem Phys; 2011 Oct; 135(15):154309. PubMed ID: 22029315
[TBL] [Abstract][Full Text] [Related]
34. Structure and stability of HSNO, the simplest S-nitrosothiol.
Timerghazin QK; Peslherbe GH; English AM
Phys Chem Chem Phys; 2008 Mar; 10(11):1532-9. PubMed ID: 18327309
[TBL] [Abstract][Full Text] [Related]
35. Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory.
Pollack L; Windus TL; de Jong WA; Dixon DA
J Phys Chem A; 2005 Aug; 109(31):6934-8. PubMed ID: 16834051
[TBL] [Abstract][Full Text] [Related]
36. CCSD(T) complete basis set limit relative energies for low-lying water hexamer structures.
Bates DM; Tschumper GS
J Phys Chem A; 2009 Apr; 113(15):3555-9. PubMed ID: 19354314
[TBL] [Abstract][Full Text] [Related]
37. Calibration study of the CCSD(T)-F12a/b methods for C2 and small hydrocarbons.
Feller D; Peterson KA; Hill JG
J Chem Phys; 2010 Nov; 133(18):184102. PubMed ID: 21073208
[TBL] [Abstract][Full Text] [Related]
38. Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.
Li X; Paldus J
J Chem Phys; 2006 May; 124(17):174101. PubMed ID: 16689561
[TBL] [Abstract][Full Text] [Related]
39. Combining explicitly correlated R12 and Gaussian geminal electronic structure theories.
Valeev EF
J Chem Phys; 2006 Dec; 125(24):244106. PubMed ID: 17199339
[TBL] [Abstract][Full Text] [Related]
40. On the accuracy of explicitly correlated coupled-cluster interaction energies--have orbital results been beaten yet?
Patkowski K
J Chem Phys; 2012 Jul; 137(3):034103. PubMed ID: 22830679
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
