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Forbidden rotational transitions and astrophysics J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-06-04 Takeshi Oka
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Absorption cross-sections, radiative efficiency and global warming potential of HFE-347pcf2 (1,1,2,2-tetrafluoroethyl 2,2,2-trifluoroethyl ether) J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-06-23 Karine Le Bris, Claire Yeo MacDougall, Paul J. Godin, Kimberly Strong
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Anion photoelectron spectroscopic and relativistic coupled-cluster studies of uranyl dichloride anion, UO2Cl2− J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-06-11 Mary Marshall, Zhaoguo Zhu, Junzi Liu, Kit H. Bowen, Lan Cheng
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Submillimeter wave spectroscopy of propanoic acid (CH3CH2COOH) and its ISM search J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-05-27 V.V. Ilyushin, L. Margulès, B. Tercero, R.A. Motiyenko, O. Dorovskaya, E.A. Alekseev, E.R. Alonso, L. Kolesniková, J. Cernicharo, J.C. Guillemin
Three compounds with a C3H6O2 formula have been detected in the Interstellar Medium (ISM): ethyl formate (CH3CH2OC(O)H), methyl acetate (CH3OC(O)CH3) and very recently hydroxyacetone (CH3C(O)CH2OH). The higher thermodynamic stability of another isomer, the propanoic acid (CH3CH2C(O)OH), clearly suggests that this molecule should be considered as a possible candidate for ISM detection. To provide reliable
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Infrared predissociation spectroscopy of protonated methyl cyanide, CH3CNH+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-05-12 Aravindh N. Marimuthu, Frank Huis in’t Veld, Sven Thorwirth, Britta Redlich, Sandra Brünken
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Variational analysis of HF dimer tunneling rotational spectra using an ab initio potential energy surface J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-05-19 Oleg L. Polyansky, Roman I. Ovsyannikov, Jonathan Tennyson, Sergei P. Belov, Mikhail Yu. Tretyakov, Vladimir Yu. Makhnev, Nikolai F. Zobov
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Millimeter-Wave and Infrared Spectroscopy of Thiazole in its Ground State and Lowest-Energy Vibrationally Excited States (ν18, ν17, and ν13) J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-06-03 Brian J. Esselman, Maria A. Zdanovskaia, Taylor K. Adkins, Brant E. Billinghurst, Jianbao Zhao, R. Claude Woods, Robert J. McMahon
The rotational spectrum of thiazole (C3H3NS, Cs, μa = 1.3 D, μb = 0.97 D) from 130 to 375 GHz and high-resolution infrared spectrum from 300 to 1300 cm−1 were obtained and analyzed. Nearly 4700 new, pure-rotational transitions were measured for the ground vibrational state, as well as over 1400 transitions for each of its three lowest-energy vibrationally excited states (ν18, ν17, and ν13). A total
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High-resolution infrared study of vinyl acetylene: The ν13 (214 cm−1) and ν18 (304 cm−1) fundamentals J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-05-02 Christian P. Endres, Georg Ch. Mellau, Michael E. Harding, Marie-Aline Martin-Drumel, Holger Lichau, Sven Thorwirth
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Multiple helium tagging and OH vibrational spectroscopy of cold protonated glycine ions J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-05-14 Katharina Geistlinger, Franziska Dahlmann, Tim Michaelsen, Milan Ončák, Eric Endres, Roland Wester
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A high speed fitting program for rotational spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-05-03 P. Brandon Carroll, Kin Long Kelvin Lee, Michael C. McCarthy
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Spectral line-shape analysis of CO2 transition using Hartmann-Tran profile and its asymptotic limits J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-05-11 Dong Li, Ruimin Guo, Hewei Dong
In this paper, the Hartmann-Tran profile (HTP) and its asymptotic limits are employed to analyze the experimentally-measured absorption spectra of CO2 gas. The fitted results by multi-spectrum fitting are compared to those from the ordinary line-shape models. The equivalence and computational efficiency of the asymptotic limits of HTP to their ordinary counterparts are studied. The research shows that
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Toward a global model of the interactions in low-lying states of methyl cyanide: Rotational and rovibrational spectroscopy of the υ4=1 state and tentative interstellar detection of the υ4=υ8=1 state in Sgr B2(N) J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-31 Holger S.P. Müller, Arnaud Belloche, Frank Lewen, Brian J. Drouin, Keeyoon Sung, Robin T. Garrod, Karl M. Menten
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High-resolution laser spectroscopy of the Ã1Πu – X̃1Σg+ transition of 13C12C12C and 12C13C12C J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-05 Qiang Zhang, Jingwang Gu, Kirstin D. Doney, Harold Linnartz, Yang Chen, Dongfeng Zhao
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Improvement and determination of higher-order centrifugal distortion constants of the A2Σ+-X2Π electronic transition of NO J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-18 Misato Haze, Hiroyuki Nakata, Kento Inoue, Ryo Shinohara, Peerapat Wangchingchai, Keigo Nagamori, Yuuki Onitsuka, Katsuyoshi Yamasaki, Hiroshi Kohguchi
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Rotational and vibrational spectroscopy of 1-cyanoadamantane and 1-isocyanoadamantane J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-25 Olivia Chitarra, Marie-Aline Martin-Drumel, Zachary Buchanan, Olivier Pirali
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Measurements of microwave and NMR spectra for 15N substituted formamidinium formate J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-28 Zunwu Zhou, Coralyse Peureux, R. Alan Aitken, Stephen G. Kukolich
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Laboratory IR spectroscopy of protonated hexa-peri-hexabenzocoronene and dicoronylene J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-26 Julianna Palotás, Jonathan Martens, Giel Berden, Jos Oomens
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An approach for multi-color action spectroscopy of highly excited states of H3+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-25 Aigars Znotins, Florian Grussie, Andreas Wolf, Xavier Urbain, Holger Kreckel
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Experimental and quantum-chemical characterization of heavy carbon subchalcogenides: Infrared detection of SeC3Se J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-16 Thomas Salomon, John B. Dudek, Yury Chernyak, Jürgen Gauss, Sven Thorwirth
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Cryogenic Messenger-IR Ion Spectroscopy Study of Phenol & Aniline Molecular Ions and of the common Fragment Ion [C5H6]+ formed by EI-MS J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-08 Dennis Zeh, Marcel Bast, Daniël B. Rap, Philipp C. Schmid, Sven Thorwirth, Sandra Brünken, Stephan Schlemmer, Mathias Schäfer
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Millimeter-wave spectroscopy of the 13CH3OD isotopic species of methyl alcohol J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-20 Li-Hong Xu, R.M. Lees, O. Zakharenko, H.S.P. Müller, F. Lewen, S. Schlemmer, K.M. Menten
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Anharmonic infrared spectra of thermally excited pyrene (C16H10): A combined view of DFT-based GVPT2 with AnharmonicCaOs, and approximate DFT molecular dynamics with demonNano J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-16 Shubhadip Chakraborty, Giacomo Mulas, Mathias Rapacioli, Christine Joblin
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Rotational spectroscopy of imidazole: Accurate spectroscopic information for three vibrationally excited states and the heavy-atom isotopologues up to 295 GHz J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-20 Benjamin E. Arenas, Gayatri Batra, Amanda L. Steber, Luca Bizzocchi, Andrea Pietropolli Charmet, Barbara M. Giuliano, Paola Caselli, Brent J. Harris, Brooks H. Pate, Jean-Claude Guillemin, Melanie Schnell
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Structural characterization of [M,C,2H]+ products formed by reaction of 5d metal cations Pt+ and Ir+ with ethylene oxide and Ta+ with methane using messenger spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-20 Joost M. Bakker, Cameron J. Owen, Sjoerd W. Nooteboom, Olga V. Lushchikova, P.B. Armentrout
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Mid-infrared spectroscopic signatures of dibenzopyrene cations – The effect of symmetry on PAH IR spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-15 Jordy Bouwman, Harold Linnartz, Alexander G.G.M. Tielens
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The fundamental rotational transition of NO+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-26 Oskar Asvany, Charles R. Markus, Anthony Roucou, Stephan Schlemmer, Sven Thorwirth, Clément Lauzin
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Microwave measurements of rotational transitions and nitrogen quadrupole coupling for 2-aminopyridine J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-04-05 Zunwu Zhou, Adam M. Daly, Stephen G. Kukolich
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The simplest sulfur-nitrogen hydrogen bond: Matrix isolation spectroscopy of H2S·NH3 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-29 Matthew H.V. Graneri, Duncan A. Wild, Allan J. McKinley
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Deciphering the rotational spectrum of the first excited torsional state of propylene oxide J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-31 Pascal Stahl, Benjamin E. Arenas, Oliver Zingsheim, Melanie Schnell, Laurent Margulès, Roman A. Motiyenko, Guido W. Fuchs, Thomas F. Giesen
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Matrix isolation spectroscopy and conformational analysis of epichlorohydrin in solid parahydrogen J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-31 Termeh Bashiri, Brendan Moore, Pavle Djuricanin, Takamasa Momose
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Cavity ring-down spectroscopy study of neon assisted recombination of H3+ ions with electrons J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-31 Dmytro Shapko, Petr Dohnal, Štěpán Roučka, Liliia Uvarova, Miroslava Kassayová, Radek Plašil, Juraj Glosík
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The analysis of the microwave absorption spectrum of trans-ethyl methyl ether in the skeletal torsion v30 = 2 state J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-14 Kaori Kobayashi, Shozo Tsunekawa, Nobukimi Ohashi
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Rotational spectrum and quantum chemical calculations of methyl cyanoacetate: A compound of potential astrochemical interest J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-17 Carolyn Gregory, Weslley G.D.P. Silva, Jennifer van Wijngaarden
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VUV photoprocessing of oxygen-containing polycyclic aromatic hydrocarbons: Threshold photoelectron spectra J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-12 Paul M. Mayer, Andras Bodi
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Laboratory microwave spectroscopy of the doubly deuterated cyanomethyl radical, D2CCN J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-12 Carlos Cabezas, Yasuki Endo, José Cernicharo
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A prochiral precursor in space? Accurate laboratory characterization of acetylacetylene in the cm-wave region J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-04 Kevin G. Lengsfeld, Philipp Buschmann, Frederike Dohrmann, Jens-Uwe Grabow
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Rotational spectroscopy and bound state calculations of deuterated NH3–H2 van der Waals complexes J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-04 I.V. Tarabukin, L.A. Surin, M. Hermanns, B. Heyne, S. Schlemmer, K.L.K. Lee, M.C. McCarthy, A. van der Avoird
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Rovibrational spectroscopy of the CH+-He and CH+-He4 complexes J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-08 Thomas Salomon, José L. Doménech, Philipp C. Schmid, Ernest A. Michael, Stephan Schlemmer, Oskar Asvany
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The rotationally resolved infrared spectrum of TiO and its isotopologues J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-26 Daniel Witsch, Alexander A. Breier, Eileen Döring, Koichi M.T. Yamada, Thomas F. Giesen, Guido W. Fuchs
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Improved centrifugal and hyperfine analysis of ND2H and NH2D and its application to the spectral line survey of L1544 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-03-04 Mattia Melosso, Luca Bizzocchi, Luca Dore, Zbigniew Kisiel, Ningjing Jiang, Silvia Spezzano, Paola Caselli, Jürgen Gauss, Cristina Puzzarini
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A rotational and vibrational investigation of phenylpropiolonitrile (C6H5C3N) J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-20 Zachary Buchanan, Kin Long Kelvin Lee, Olivia Chitarra, Michael C. McCarthy, Olivier Pirali, Marie-Aline Martin-Drumel
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Vibrational spectroscopy of H2He+ and D2He+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-20 Oskar Asvany, Stephan Schlemmer, Ad van der Avoird, Tamás Szidarovszky, Attila G. Császár
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Analysis of the newly observed [15.05]0+ – X 3Σ–(0+) transition of WS observed using intracavity laser spectroscopy with Fourier-transform detection J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-20 Kristin N. Bales, Jack C. Harms, James J. O'Brien, Leah C. O'Brien
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Buffer-gas pressure broadening at high J values in the ν3 band of CO2 measured with tunable diode laser absorption spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-17 Dongdong Chen, Lei Shi, Ping Xu, Rui Wang, Changhua Zhang
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Theoretical rovibrational characterization of HAlNP: Weak bonding but strong intensities J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-06 Ryan C. Fortenberry, Tarek Trabelsi, Joseph S. Francisco
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Microwave Zeeman effect of methanol J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-06 Kojiro Takagi, Shozo Tsunekawa, Kaori Kobayashi, Tomoya Hirota, Fusakazu Matsushima
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Intermolecular vibrational states far above the van der Waals minimum: Combination bands of the polar N2O dimer J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-06 A.R.W. McKellar, Moazzen-Ahmadi
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Structure and photochemistry of a potential precursor of circumstellar dust: The optical spectrum of Si4C2+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-06 Marko Förstel, Robert G. Radloff, Kai Pollow, Taarna Studemund, Otto Dopfer
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Spectroscopy and electronic structure of the low-energy states of ThN J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-04 Joel R. Schmitz, Michael C. Heaven
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Rovibrational spectra of nonpolar (N2O)2 and Ar–N2O complexes in the 2v2 overtone region of N2O J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-04 Xiang Li, Zhuang Liu, Chuanxi Duan
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Line intensities of the 01111–00001 magnetic dipole absorption band of 12C16O2: Laboratory measurements J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-08 Yu.G. Borkov, A.M. Solodov, A.A. Solodov, V.I. Perevalov
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The new nitrogen dioxide (NO2) linelist in the GEISA database and first identification of the ν1+2ν3-ν3 band of 14N16O2 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-17 Agnès Perrin, L. Manceron, J.-M. Flaud, F. Kwabia-Tchana, R. Armante, P. Roy, D. Doizi
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Vibrations of pyrrole, N-substituted pyrroles, and their cations J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-03 Alexander R. Davies, David J. Kemp, Timothy G. Wright
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Fourier transform infrared (FTIR) spectroscopy of formaldoxime (CH2NOH) in the 450–3800 cm−1 region and its ν9 band J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-07 Q.Y. Wu, T.L. Tan
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Microwave spectrum and iodine nuclear quadrupole coupling constants of 1,1-diiodoethane J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-15 Michael J. Carrillo, Wei Lin, Yasuki Endo
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A chirped pulse Fourier transform microwave spectrometer with multi-antenna detection J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-11 Amanda Duerden, Frank E. Marshall, Nicole Moon, Christian Swanson, Kristen M. Donnell, G.S. Grubbs II
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The 2,2,4,4-tetrafluoro-1,3-dithietane⋯NH3 complex: A rotational study reveals a N⋯σ-hole interaction J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-19 Xiaolong Li, Kevin G. Lengsfeld, Philipp Buschmann, Juan Wang, Jens-Uwe Grabow, Qian Gou, Gang Feng
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The high-resolution infrared analysis of the ν3 and ν6 bands of CD3Br J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-17 T. Masiello, S. Ray, J.W. Vant, C.S. Brauer, T.A. Blake
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Hydrogen bonding interactions in the 1,1,1,3,3,3-hexafluoro-2-propanol∙∙∙1,4-dioxane complex: Rotational spectroscopy and density functional theory calculations J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-05 Qian Yang, Fan Xie, Tao Lu, Nina Bui, Wolfgang Jäger, Yunjie Xu
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Benchmark comparison of dual-basis double-hybrid density functional theory and a neural-network-optimized method for intermolecular interactions J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-30 Jesse J. Lutz, Jason N. Byrd, John A. Montgomery Jr.
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