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Browsing by Author Rabbani, S M Gulam

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Feb-2025	/Catalyst_structure H4_Pt_Mo6_O20_species_81	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.56321662; Eh
29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_species_81	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.56321662; Eh
3-Feb-2025	/Catalyst_structure H4_Pt_Mo6_O20_species_83	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.55647279; Eh
29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_species_83	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.55647279; Eh
3-Feb-2025	/Catalyst_structure H4_Pt_Mo6_O20_species_88	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2037.61382600; Eh
29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_species_88	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2037.61382600; Eh
3-Feb-2025	/Catalyst_structure H4_Pt_Mo6_O20_species_91	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.55781230; Eh
29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_species_91	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.55781230; Eh
3-Feb-2025	/Catalyst_structure H4_Pt_Mo6_O20_spin1_species_88	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2037.61382600; Eh
29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_spin1_species_88	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2037.61382600; Eh
3-Feb-2025	/Catalyst_structure H4_Pt_Mo6_O22_species_97	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2188.10064513; Eh
29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O22_species_97	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2188.10064513; Eh
3-Feb-2025	/Catalyst_structure H4_Pt_Mo6_O22_species_98	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2188.10056543; Eh
29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O22_species_98	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2188.10056543; Eh
3-Feb-2025	/Catalyst_structure H6_Pt_Mo6_O22_species_32	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2189.29360820; Eh
29-Jan-2026	/Catalyst_structure H6_Pt_Mo6_O22_species_32	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2189.29360820; Eh
3-Feb-2025	/Catalyst_structure H6_Pt_Mo6_O22_species_35	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2189.28485793; Eh
29-Jan-2026	/Catalyst_structure H6_Pt_Mo6_O22_species_35	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2189.28485793; Eh
29-Jan-2026	/Catalyst_structure H8_Pt_Mo6_O22_species_79	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2190.49632109; Eh
3-Feb-2025	/Catalyst_structure H8_Pt_Mo6_O22_species_79_	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2190.49632109; Eh

Showing results 1 to 20 of 413 next >