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Collection hits:

Collection Name
Modified_Ribonucleosides

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Apr-2026	/NOx_adsorbates/NO3/flat/bare/tridentate no3_flat_bare_tridentate	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-68.84407345; eV
	13-Apr-2026	/Coadsorption/2NO3/tshape 2no3_tshape_freq	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complex	Single point	DFT	-	-92.73637051; eV
	13-Apr-2026	TS2z_TS_NO2.log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D,P)	-2109.75345216; Eh
	13-Apr-2026	1z_R_NO2.log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P)	-2109.79559739; Eh
	13-Apr-2026	1u_R_H.log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P)	-1905.36572593; Eh
	13-Apr-2026	TS2u_TS_H.log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D,P)	-1905.32221639; Eh
	16-Apr-2026	cytidine	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2103.86528383; Eh
	16-Apr-2026	520U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2426.30732324; Eh
	16-Apr-2026	2162A	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-3163.50894900; Eh

Results 395181-395190 of 397032 (Search time: 0.22 seconds).