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The performance of hybrid and F12∗/F12c explicitly correlated coupled cluster methods for use in anharmonic vibrational frequency computations
Alexandria G. Watrous, Brent R. Westbrook and Ryan C. Fortenberry International Journal of Quantum Chemistry 123(23) (2023) https://doi.org/10.1002/qua.27225
2021 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules
Muneerah Mogren Al Mogren, Driss Ben Abdallah, Sarah Dhaif Allah Al Harbi and Maria Luisa Senent The Journal of Chemical Physics 156(18) (2022) https://doi.org/10.1063/5.0089458
F12-TZ-cCR: A Methodology for Faster and Still Highly Accurate Quartic Force Fields
Alexandria G. Watrous, Brent R. Westbrook and Ryan C. Fortenberry The Journal of Physical Chemistry A 125(49) 10532 (2021) https://doi.org/10.1021/acs.jpca.1c08355
Rotational excitation of C2H− anion in collision with H2
Barry P. Mant, Markus Nötzold, Lola González-Sánchez, Roland Wester and Franco A. Gianturco The European Physical Journal D 74(6) (2020) https://doi.org/10.1140/epjd/e2020-10043-6
Rovibrational quenching of
C2−
anions in collisions with He, Ne, and Ar atoms
Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: A computational comparison
Jan Franz, Barry P. Mant, Lola González-Sánchez, Roland Wester and Franco A. Gianturco The Journal of Chemical Physics 152(23) (2020) https://doi.org/10.1063/5.0011585
Modeling state-selective photodetachment in cold ion traps: Rotational state “crowding” in small anions
F. A. Gianturco, L. González-Sánchez, B. P. Mant and R. Wester The Journal of Chemical Physics 151(14) (2019) https://doi.org/10.1063/1.5123218
HCnN anions in the ISM: exploring their existence and new paths to anionic carbonitriles for n = 3, 5
Stanka V. Jerosimić, Roland Wester and Franco A. Gianturco Physical Chemistry Chemical Physics 21(21) 11405 (2019) https://doi.org/10.1039/C9CP00877B
Hyperfine excitation of C2H and C2D by para-H2
Fabien Dumouchel, François Lique, Annie Spielfiedel and Nicole Feautrier Monthly Notices of the Royal Astronomical Society 471(2) 1849 (2017) https://doi.org/10.1093/mnras/stx1707
SYSTEMATIC THEORETICAL STUDY ON THE INTERSTELLAR CARBON CHAIN MOLECULES
Emmanuel E. Etim, Prasanta Gorai, Ankan Das, Sandip K. Chakrabarti and Elangannan Arunan The Astrophysical Journal 832(2) 144 (2016) https://doi.org/10.3847/0004-637X/832/2/144
Exploring a dynamical path for C2H− and NCO− formation in dark molecular clouds
Ibrokhim Iskandarov, Francesco Antonio Gianturco, Fabio Carelli, Ersin Yurtsever and Roland Wester The European Physical Journal D 70(2) (2016) https://doi.org/10.1140/epjd/e2016-60639-2
Study of the radiative electron attachment and photodetachment processes for the C2H/C2H- and C4H/C4H- molecules
Theoretical study of radiative electron attachment to CN, C2H, and C4H radicals
Nicolas Douguet, S. Fonseca dos Santos, Maurice Raoult, Olivier Dulieu, Ann E. Orel and Viatcheslav Kokoouline The Journal of Chemical Physics 142(23) (2015) https://doi.org/10.1063/1.4922691
QUANTUM CHEMICAL ROVIBRATIONAL DATA FOR THE INTERSTELLAR DETECTION OFc-C3H–
HIGH-ACCURACY QUARTIC FORCE FIELD CALCULATIONS FOR THE SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES OF 11A′l-C3H–: A POSSIBLE LINK TO LINES OBSERVED IN THE HORSEHEAD NEBULA PHOTODISSOCIATION REGION
SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES FOR
l
-C
3
H
+
AND ISOTOPOLOGUES FROM HIGHLY ACCURATE QUARTIC FORCE FIELDS: THE DETECTION OF
l
-C
3
H
+
IN THE HORSEHEAD NEBULA PDR QUESTIONED
Theoretical studies on structures and electronic spectra of linear carbon chains C2nH+ (n = 1−5)
Jinglai Zhang, Yonghong Li, Junfeng Li, Xing Chen and Zexing Cao International Journal of Quantum Chemistry 109(5) 1116 (2009) https://doi.org/10.1002/qua.21926
Isofulminic acid, HONC: Ab initio theory and microwave spectroscopy
Mirjana Mladenović, Marius Lewerenz, Michael C. McCarthy and Patrick Thaddeus The Journal of Chemical Physics 131(17) (2009) https://doi.org/10.1063/1.3257680
Accurate ab initio quartic force fields for NH2− and CCH− and rovibrational spectroscopic constants for their isotopologs