77 related articles for article (PubMed ID: 23298038)
1. Correlated ab initio investigations on the intermolecular and intramolecular potential energy surfaces in the ground electronic state of the O2(-)(X2Πg)-HF(X1Σ+) complex.
Fawzy WM; Elsayed M; Zhang Y
J Chem Phys; 2013 Jan; 138(1):014304. PubMed ID: 23298038
[TBL] [Abstract][Full Text] [Related]
2. Systematic analysis of electronic barrier heights and widths for concerted proton transfer in cyclic hydrogen bonded clusters: (HF)
Xue Y; Sexton TM; Yang J; Tschumper GS
Phys Chem Chem Phys; 2024 Apr; 26(16):12483-12494. PubMed ID: 38619858
[TBL] [Abstract][Full Text] [Related]
3. A New Ab Initio Potential Energy Surface and Rovibrational Spectra for the CO-N
Jiang X; Liu L; Peng Y; Zhu H
J Phys Chem A; 2024 Apr; 128(14):2743-2751. PubMed ID: 38557005
[TBL] [Abstract][Full Text] [Related]
4. Thermal rate constants and kinetic isotope effects of the H + H
Kano FG; de Carvalho EFV; Ferrão LFA; Machado FBC; Roberto-Neto O
J Mol Model; 2024 Apr; 30(5):147. PubMed ID: 38662096
[TBL] [Abstract][Full Text] [Related]
5. An intramolecular vibrationally excited intermolecular potential energy surface and predicted 2OH overtone spectroscopy of H
Zhang XL; Yang SB; Hou D; Li H
Phys Chem Chem Phys; 2023 Nov; 25(43):29940-29950. PubMed ID: 37902029
[TBL] [Abstract][Full Text] [Related]
6. Ab Initio Intermolecular Potential Energy Surfaces and Cross Second Virial Coefficients for the Dimer N
Van Tat P; Thai Hoa T
ACS Omega; 2020 Jun; 5(21):12539-12549. PubMed ID: 32548438
[TBL] [Abstract][Full Text] [Related]
7. Gas-phase and solid-state electronic structure analysis and DFT benchmarking of HfCO.
Ariyarathna IR; Cho Y; Duan C; Kulik HJ
Phys Chem Chem Phys; 2023 Oct; 25(39):26632-26639. PubMed ID: 37767841
[No Abstract] [Full Text] [Related]
8. H2O-HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations.
Vindel-Zandbergen P; Kȩdziera D; Żółtowski M; Kłos J; Żuchowski P; Felker PM; Lique F; Bačić Z
J Chem Phys; 2023 Nov; 159(17):. PubMed ID: 37909452
[TBL] [Abstract][Full Text] [Related]
9. Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet (
Egorov O; Rey M; Viglaska D; Nikitin AV
J Comput Chem; 2024 Jan; 45(2):83-100. PubMed ID: 37681560
[TBL] [Abstract][Full Text] [Related]
10. Competition between Solvent···Solvent and Solvent···Solute Interactions in the Microhydration of the Tetrafluoroborate Anion, BF
Olive LN; Dornshuld EV; Schaefer HF; Tschumper GS
J Phys Chem A; 2023 Oct; 127(42):8806-8820. PubMed ID: 37774368
[TBL] [Abstract][Full Text] [Related]
11. High Accuracy
McCarver GA; Hinde RJ
J Phys Chem A; 2024 Jan; 128(3):539-547. PubMed ID: 38227217
[TBL] [Abstract][Full Text] [Related]
12. A-Band Absorption Spectrum of the ClSO Radical: Electronic Structure of the Sulfinyl Group.
Chao W; Jones GH; Okumura M; Percival CJ; Winiberg FAF
J Phys Chem A; 2023 Oct; 127(40):8374-8382. PubMed ID: 37772907
[TBL] [Abstract][Full Text] [Related]
13. Combined FTIR/Raman spectroscopic studies and ab initio electronic structure calculations of Dithiothreitol.
Bhadoria P; Ramanathan V
Spectrochim Acta A Mol Biomol Spectrosc; 2024 Jan; 304():123399. PubMed ID: 37741101
[TBL] [Abstract][Full Text] [Related]
14. A new six-dimensional ab initio potential energy surface and rovibrational spectra for the N2-CO2 complex.
Peng Y; Jiang X; Liu L; Liu G; Zhu H
J Chem Phys; 2023 Dec; 159(24):. PubMed ID: 38146833
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Ab initio calculations on the X∼
Guo T; Xu J; Chen Y; Ma S; Zhang Y
Spectrochim Acta A Mol Biomol Spectrosc; 2024 Jan; 304():123390. PubMed ID: 37708756
[TBL] [Abstract][Full Text] [Related]
17. A New Full-Dimensional
Yu Y; Yang D; Zhou Y; Xie D
J Phys Chem A; 2024 Jan; 128(1):170-181. PubMed ID: 38109882
[TBL] [Abstract][Full Text] [Related]
18. Benchmark
Tasi DA; Czakó G
Phys Chem Chem Phys; 2024 May; ():. PubMed ID: 38779842
[TBL] [Abstract][Full Text] [Related]
19. Multiple Bonding in AeN
Cui LJ; Liu YQ; Wang MH; Yan B; Pan S; Cui ZH; Frenking G
Chemistry; 2024 Apr; ():e202400714. PubMed ID: 38622057
[TBL] [Abstract][Full Text] [Related]
20. Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane.
Barone V; Biczysko M; Bloino J; Puzzarini C
J Chem Phys; 2014 Jul; 141(3):034107. PubMed ID: 25053301
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]