131 related articles for article (PubMed ID: 36050027)
1. Precise equilibrium structures of 1H- and 2H-1,2,3-triazoles (C
Zdanovskaia MA; Esselman BJ; Kougias SM; Amberger BK; Stanton JF; Woods RC; McMahon RJ
J Chem Phys; 2022 Aug; 157(8):084305. PubMed ID: 36050027
[TBL] [Abstract][Full Text] [Related]
2. Millimeter/Submillimeter-wave Spectroscopy and the Semi-experimental Equilibrium (
Bunn HA; Esselman BJ; Franke PR; Kougias SM; McMahon RJ; Stanton JF; Widicus Weaver SL; Woods RC
J Phys Chem A; 2022 Nov; 126(44):8196-8210. PubMed ID: 36314454
[TBL] [Abstract][Full Text] [Related]
3. Semi-Experimental Equilibrium (
Owen AN; Zdanovskaia MA; Esselman BJ; Stanton JF; Woods RC; McMahon RJ
J Phys Chem A; 2021 Sep; 125(36):7976-7987. PubMed ID: 34478298
[TBL] [Abstract][Full Text] [Related]
4. Improved semi-experimental equilibrium structure and high-level theoretical structures of ketene.
Smith HH; Esselman BJ; Wood SA; Stanton JF; Woods RC; McMahon RJ
J Chem Phys; 2023 Jun; 158(24):. PubMed ID: 37352424
[TBL] [Abstract][Full Text] [Related]
5. Precise equilibrium structure of thiazole (c-C
Esselman BJ; Zdanovskaia MA; Owen AN; Stanton JF; Woods RC; McMahon RJ
J Chem Phys; 2021 Aug; 155(5):054302. PubMed ID: 34364360
[TBL] [Abstract][Full Text] [Related]
6. Precise Equilibrium Structure of Benzene.
Esselman BJ; Zdanovskaia MA; Owen AN; Stanton JF; Woods RC; McMahon RJ
J Am Chem Soc; 2023 Oct; 145(40):21785-21797. PubMed ID: 37774420
[TBL] [Abstract][Full Text] [Related]
7. Vibrationally excited states of 1H- and 2H-1,2,3-triazole isotopologues analyzed by millimeter-wave and high-resolution infrared spectroscopy with approximate state-specific quartic distortion constants.
Zdanovskaia MA; Franke PR; Esselman BJ; Billinghurst BE; Zhao J; Stanton JF; Woods RC; McMahon RJ
J Chem Phys; 2023 Jan; 158(4):044301. PubMed ID: 36725515
[TBL] [Abstract][Full Text] [Related]
8. Molecular structure determination: Equilibrium structure of pyrimidine (m-C
Heim ZN; Amberger BK; Esselman BJ; Stanton JF; Woods RC; McMahon RJ
J Chem Phys; 2020 Mar; 152(10):104303. PubMed ID: 32171207
[TBL] [Abstract][Full Text] [Related]
9. Semi-experimental equilibrium (r
Owen AN; Sahoo NP; Esselman BJ; Stanton JF; Woods RC; McMahon RJ
J Chem Phys; 2022 Jul; 157(3):034303. PubMed ID: 35868945
[TBL] [Abstract][Full Text] [Related]
10. Precise equilibrium structure determination of hydrazoic acid (HN3) by millimeter-wave spectroscopy.
Amberger BK; Esselman BJ; Stanton JF; Woods RC; McMahon RJ
J Chem Phys; 2015 Sep; 143(10):104310. PubMed ID: 26374038
[TBL] [Abstract][Full Text] [Related]
11. Precise equilibrium structure determination of thiophene (c-C
Orr VL; Ichikawa Y; Patel AR; Kougias SM; Kobayashi K; Stanton JF; Esselman BJ; Woods RC; McMahon RJ
J Chem Phys; 2021 Jun; 154(24):244310. PubMed ID: 34241363
[TBL] [Abstract][Full Text] [Related]
12. Tautomeric equilibrium and hydrogen shifts in tetrazole and triazoles: focal-point analysis and ab initio limit.
Balabin RM
J Chem Phys; 2009 Oct; 131(15):154307. PubMed ID: 20568864
[TBL] [Abstract][Full Text] [Related]
13. Coupled-cluster calculations of C(2)H(2)Si and CNHSi structural isomers.
Thorwirth S; Harding ME
J Chem Phys; 2009 Jun; 130(21):214303. PubMed ID: 19508065
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N(2), F(2), and CO.
Ruden TA; Helgaker T; Jørgensen P; Olsen J
J Chem Phys; 2004 Sep; 121(12):5874-84. PubMed ID: 15367015
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. 2
Sigalov MV; Afonin AV; Sterkhova IV; Shainyan BA
J Org Chem; 2019 Jul; 84(14):9075-9086. PubMed ID: 31241332
[TBL] [Abstract][Full Text] [Related]
18. Insights into the Molecular Structure and Spectroscopic Properties of HONCO: An Accurate
Puzzarini C; Linguerri R; Hochlaf M
J Phys Chem A; 2023 Nov; 127(45):9502-9512. PubMed ID: 37922399
[TBL] [Abstract][Full Text] [Related]
19. Symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method: improving upon CCSD(T) and CCSD(T)(Λ): preliminary application.
Bozkaya U; Schaefer HF
J Chem Phys; 2012 May; 136(20):204114. PubMed ID: 22667547
[TBL] [Abstract][Full Text] [Related]
20. A Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Selected Singly Bonded Molecules, and the Hydrides NH3, H2O, and HF and Their Protonated and Deprotonated Ions and Hydrogen-Bonded Complexes.
Del Bene JE; Alkorta I; Elguero J
J Chem Theory Comput; 2008 Jun; 4(6):967-73. PubMed ID: 26621237
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]