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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Feb-2026	/Me_rad_reactions/anthracene_abstract 1-anthracene_Me-CHabs_ts_opt	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X	6-311++G(D,P)	-579.222149251; Eh
	18-Feb-2026	/Me_rad_reactions/anthracene_attack 9-anthracene_attack_ts_opt	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X	6-311++G(D,P)	-579.244713812; Eh
	18-Feb-2026	/Me_rad_reactions/anthracene_attack 2-anthracene_attack_ts_opt	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X	6-311++G(D,P)	-579.238665363; Eh
	18-Feb-2026	/Me_rad_reactions/anthracene_attack 9-anthracene_attack_products_sp	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM062X	GENECP	-579.4223111; Eh
	18-Feb-2026	/Me_rad_reactions/anthracene_attack 2-anthracene_attack_products_sp	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM062X	GENECP	-579.4024481; Eh
	18-Feb-2026	/Me_rad_reactions/anthracene_attack 9-anthracene_attack_ts_sp	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM062X	GENECP	-579.3606957; Eh
	18-Feb-2026	/Me_rad_reactions/anthracene_attack 2-anthracene_attack_ts_sp	Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM062X	GENECP	-579.3549557; Eh
	18-Feb-2026	44_FREQ_r2SCAN_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1727.65407626804881; Eh
	18-Feb-2026	31_FREQ_TPSSH-D4_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1503.71366234561378; Eh
	18-Feb-2026	30_FREQ_TPSSH-D4_DEF2-TZVP_DMSO	Ahmed, Yusef	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	DEF2-TZVP; CPCM(DMSO); def2/j	-1577.54139149955063; Eh

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