相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons
B. Kerkeni et al.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2022)
The NASA Ames PAH IR Spectroscopic Database: The Laboratory Spectra
A. L. Mattioda et al.
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES (2020)
Temperature effects on anharmonic infrared spectra of large compact polycyclic aromatic hydrocarbons
Tao Chen
ASTRONOMY & ASTROPHYSICS (2019)
An Argon-Oxygen Covalent Bond in the ArOH+ Molecular Ion
J. Philipp Wagner et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
Overcoming the Failure of Correlation for Out-of-Plane Motions in a Simple Aromatic: Rovibrational Quantum Chemical Analysis of c-C3H2
Ryan C. Fortenberry et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
The NASA Ames PAH IR Spectroscopic Database: Computational Version 3.00 with Updated Content and the Introduction of Multiple Scaling Factors
Charles W. Bauschlicher et al.
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES (2018)
On the Detectability of the (X)over-tilde2A HSS, HSO, and HOS Radicals in the Interstellar Medium
Ryan C. Fortenberry et al.
ASTROPHYSICAL JOURNAL (2017)
The rovibrational nature of closed -shell third -row triatomics: HOX and HXO, X = Sr+, P, S+, and Cl
Mason J. R. Kitchens et al.
CHEMICAL PHYSICS (2016)
Potential interstellar noble gas molecules: ArOH+ and NeOH+ rovibrational analysis from quantum chemical quartic force fields
Riley A. Theis et al.
MOLECULAR ASTROPHYSICS (2016)
Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules
Matteo Piccardo et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Quartic force fields for excited electronic states: Rovibronic reference data for the 1 2A′ and 1 2A states of the isoformyl radical, HOC
W. James Morgan et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)
HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY
Elena Maltseva et al.
ASTROPHYSICAL JOURNAL (2015)
LABORATORY GAS-PHASE DETECTION OF THE CYCLOPROPENYL CATION (c-C3H3+)
Dongfeng Zhao et al.
ASTROPHYSICAL JOURNAL LETTERS (2014)
Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+
Ryan C. Fortenberry et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Fundamental Vibrational Frequencies and Spectroscopic Constants of HOCS+, HSCO+, and Isotopologues via Quartic Force Fields
Ryan C. Fortenberry et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Accurate Anharmonic Vibrational Frequencies for Uracil: The Performance of Composite Schemes and Hybrid CC/DFT Model
Cristina Puzzarini et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Highly Accurate Quartic Force Fields, Vibrational Frequencies, and Spectroscopic Constants for Cyclic and Linear C3H3+
Xinchuan Huang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies
Malgorzata Biczysko et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Interstellar Polycyclic Aromatic Hydrocarbon Molecules
A.G.G.M. Tielens
Annual Review of Astronomy and Astrophysics (2008)
Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
James J. P. Stewart
JOURNAL OF MOLECULAR MODELING (2007)
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
JOURNAL OF CHEMICAL PHYSICS (2005)
Laboratory infrared spectroscopy of cationic polycyclic aromatic hydrocarbon molecules
J Oomens et al.
ASTROPHYSICAL JOURNAL (2003)
The rich 6 to 9 μm spectrum of interstellar PAHs
E Peeters et al.
ASTRONOMY & ASTROPHYSICS (2002)