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A chemical dynamics study of the reaction of the methylidyne radical (CH, X2 Π) with dimethylacetylene (CH3 CCCH3 , X1 A1g ) . Chao He, Kazuumi Fujioka, Anatoliy A. Nikolayev, Long Zhao, Srinivas Doddipatla, Valeriy N. Azyazov, Alexander M. Mebel, Rui Sun, Ralf I. Kaiser
, Phys. Chem. Chem. Phys.
, 2022
, 24
, 578
Engineering non-ionic carbon super- and hyperbases by a computational DFT approach: substituted allenes have unprecedented cation affinities . Hamid Saeidian, Zohreh Mirjafary
, New J. Chem.
, 2020
, 44
, 12967
Reaction mechanism and product branching ratios of the CH + C3 H4 reactions: a theoretical study . Joao Marcelo Ribeiro, Alexander M. Mebel
, Phys. Chem. Chem. Phys.
, 2017
, 19
, 14543
Boron-induced formation of a methylenecyclopropene unit in the bis(cyclopentadienyl)zirconium coordination sphere . Bodo Temme, Gerhard Erker, Roland Fröhlich, Matthias Grehl
, J. Chem. Soc., Chem. Commun.
, 1994
, 1713
Extended curly arrow rules to rationalise and predict structural effects on quantum interference in molecular junctions . Luke J. O'Driscoll, Martin R. Bryce
, Nanoscale
, 2021
, 13
, 1103
Molecular mechanisms in the pyrolysis of unsaturated chlorinated hydrocarbons . Grant J. McIntosh, Douglas K. Russell
, New J. Chem.
, 2008
, 32
, 2245
Computational design of Brønsted neutral organic superbases—[3]iminoradialenes and quinonimines are important synthetic targets . Ines Despotović, Zvonimir B. Maksić, Robert Vianello
, New J. Chem.
, 2007
, 31
, 52
Practical computation of electronic excitation in solution: vertical excitation model . Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar, Ciro A. Guido, Benedetta Mennucci, Giovanni Scalmani, Michael J. Frisch
, Chem. Sci.
, 2011
, 2
, 2143
Observational astrochemistry in the age of ALMA, NOEMA, JWST and beyond!: general discussion . Eleonora Bianchi, Sandra Brünken, Cecilia Ceccarelli, Martin Cordiner, Athena Flint, Robin T. Garrod, Murthy S. Gudipati, Divita Gupta, Dwayne E. Heard, Eric Herbst, Ko-Yun Huang, Inga Kamp, Jialu Li, Nikku Madhusudhan, Rafael Martin Domenech, Martin R. S. McCoustra, Anthony Meijer, Stefanie Milam, Tom J. Millar, Karolina Plakitina, Ian Sims, Ewine F. van Dishoeck, Serena Viti, Nicholas Walker, Laurent Wiesenfeld, Olivia H. Wilkins
, Faraday Discuss.
, 2023
, 245
, 199
Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation . Roberto Di Remigio, Maarten T. P. Beerepoot, Yann Cornaton, Magnus Ringholm, Arnfinn Hykkerud Steindal, Kenneth Ruud, Luca Frediani
, Phys. Chem. Chem. Phys.
, 2017
, 19
, 366