GitHub - HPQC-LABS/AI_ENERGIES: Ab Initio Energies

Name		Name	Last commit message	Last commit date
Latest commit History 666 Commits
Ag2		Ag2
AlF3+		AlF3+
AlF3		AlF3
AlI3+		AlI3+
AlI3		AlI3
Ar+		Ar+
Ar		Ar
As2		As2
AsH3+		AsH3+
AsH3		AsH3
B+		B+
B		B
BF+		BF+
BF		BF
BH3		BH3
BN+		BN+
BN		BN
Be+		Be+
Be		Be
Be2		Be2
Br2+		Br2+
Br2		Br2
C+		C+
C		C
C10H6F2N2		C10H6F2N2
C12H10B2N2		C12H10B2N2
C2		C2
C2H2		C2H2
C2H3Br+		C2H3Br+
C2H3Br		C2H3Br
C2H3Cl+		C2H3Cl+
C2H3Cl		C2H3Cl
C2H3F+		C2H3F+
C2H3F		C2H3F
C2H3I		C2H3I
C2H4+		C2H4+
C2H4		C2H4
C2H4O+		C2H4O+
C2H4O		C2H4O
C2H6+		C2H6+
C2H6		C2H6
C3H8+		C3H8+
C3H8		C3H8
C4+		C4+
C4		C4
C4H10		C4H10
C4H10O		C4H10O
C5H5N		C5H5N
C5H6		C5H6
C6F6		C6F6
C6H6		C6H6
C6H6O		C6H6O
C7H8		C7H8
CBr4		CBr4
CCl4		CCl4
CH2O2+		CH2O2+
CH2O2		CH2O2
CH3NO		CH3NO
CH3OH+		CH3OH+
CH3OH		CH3OH
CH4N2O		CH4N2O
CN-		CN-
CN		CN
CO+		CO+
CO		CO
CO2+		CO2+
CO2		CO2
CS2+		CS2+
CS2		CS2
Cl2+		Cl2+
Cl2		Cl2
Cu2+		Cu2+
Cu2		Cu2
CuCN+		CuCN+
CuCN		CuCN
F+		F+
F		F
F2+		F2+
F2		F2
FeC4O4/C3v		FeC4O4/C3v
H		H
H2+		H2+
H2		H2
H2CO		H2CO
H2O+		H2O+
H2O		H2O
H2O2+		H2O2+
H2O2		H2O2
H2S+		H2S+
H2S		H2S
HCN		HCN
HN3+		HN3+
HN3		HN3
He+		He+
He		He
K2		K2
KH+		KH+
Kr+		Kr+
Kr		Kr
Li+		Li+