The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants.
about
The PyPES library of high quality semi-global potential energy surfaces.Vibrational frequencies and spectroscopic constants of three, stable noble gas molecules: NeCCH+, ArCCH+, and ArCN.Spectroscopy and dynamics of the HOCO radical: insights into the OH + CO → H + CO2 reaction.A spectroscopic case for SPSi detection: The third-row in a single molecule.Protonated nitrous oxide, NNOH+: fundamental vibrational frequencies and spectroscopic constants from quartic force fields.Energetics, structure, and rovibrational spectroscopic properties of the sulfurous anions SNO(-) and OSN(.).Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues.Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anion.Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+.Communication: a chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction.Toward the laboratory identification of the not-so-simple NS2 neutral and anion isomers.Towards completing the cyclopropenylidene cycle: rovibrational analysis of cyclic N3+, CNN, HCNN+, and CNC.Full-dimensional characterization of photoelectron spectra of HOCO(-) and DOCO(-) and tunneling facilitated decay of HOCO prepared by anion photodetachment.Towards a quantum chemical protocol for the prediction of rovibrational spectroscopic data for transition metal molecules: Exploration of CuCN, CuOH, and CuCCH.Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons.Symmetry breaking and spectral considerations of the surprisingly floppy c-C3H radical and the related dipole-bound excited state of c-C3H.Communication: The failure of correlation to describe carbon=carbon bonding in out-of-plane bends.Quantum astrochemical spectroscopyRovibrational and energetic analysis of the hydroxyethynyl anion (CCOH−)
P2860
Q35788923-FC456785-599F-4FC2-8439-EB4674A0A6BBQ38985253-967A6BEE-14E4-4BAF-9A30-1FD82E229EEAQ39148088-B2089D94-C3C6-47AC-A3FF-2FD06F4E012FQ39248719-90DFBE66-C408-4026-A86E-80546DFA7300Q39355310-8BA4E335-E82E-4F3A-BE8F-794EE75F85B8Q40322049-6CDFF277-9170-4DCE-B4E6-AEFDE7FCA8B3Q40586000-D0F5FD33-FB37-4810-B859-BA9BB8153370Q44971394-5A2C7DB3-E0C4-4815-8AF4-27D3A9F35FFEQ44977006-4B02F607-C7D3-48A6-9D5F-8B4C152C9107Q46079407-E31DC4FB-8C62-452C-8063-47872A84EE35Q46082050-056D18DF-328D-4AE6-83CB-DC2E68BE3D01Q46320470-E8EF4892-7A83-46E3-A219-EC962F3D5B56Q46893833-A40FF8A7-3AA1-4806-BD68-84D28643EFC2Q47257870-E46B9EA2-D13A-43C2-911A-CE2510F4641FQ47406404-EC62D228-CD84-4DD4-97A6-A8220FA0A50AQ47428330-7876B93E-9B2F-4B1C-8277-9C005E67EB6FQ48046190-548169A0-B2B0-480F-8380-356D7CBF972AQ57308452-D754ECBC-388C-4AB5-86E6-E488AF6D828BQ58687010-1FBBB716-34B1-44D4-BCB8-D28E7A806C90
P2860
The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
@zh
2011年论文
@zh-cn
name
The trans-HOCO radical: quarti ...... , and spectroscopic constants.
@en
type
label
The trans-HOCO radical: quarti ...... , and spectroscopic constants.
@en
prefLabel
The trans-HOCO radical: quarti ...... , and spectroscopic constants.
@en
P2093
P2860
P356
P1476
The trans-HOCO radical: quarti ...... , and spectroscopic constants.
@en
P2093
Joseph S Francisco
Ryan C Fortenberry
T Daniel Crawford
P2860
P304
P356
10.1063/1.3643336
P407
P577
2011-10-01T00:00:00Z