ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
149
150
151
152
153
154
155
...
258
next

Collection hits:

Collection Name
A Zigzag Sc2C2 Carbide Cluster inside a [88]Fullerene Cage with One Heptagon, Sc2C2@Cs(hept)-C88: A Kinetically-Trapped Fullerene Formed by C2 Insertion?
Borylation_Dienes_Gerard_Bru
Boryl-cupration_Cyclization
C78Cl6-C5Cl6

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts2-in	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.86900773; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts1n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.85856368; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts5	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.94303476; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts4	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.90865493; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts3	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-819.780366064; Eh
	9-Sep-2024	/Sulfure_activation_structures s2_singlet	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-796.279781395; Eh

Results 1511-1520 of 2579 (Search time: 0.001 seconds).