A Domino Process towards Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative Csp3-Csp3 Bond Formation Collection home page
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DOI: 10.19061/iochem-bd-1-62
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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 73
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 29-Jan-2018 | t9´ | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3197.68978105; Eh | |||
![]() | 29-Jan-2018 | t8´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3504.75286077; Eh | |||
![]() | 29-Jan-2018 | t8´ | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3197.69348232; Eh | |||
![]() | 29-Jan-2018 | t_2-2a_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); SDD | -3077.72356294; Eh | |||
![]() | 29-Jan-2018 | t_2-2a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); SDD | -2924.19507973; Eh | |||
![]() | 29-Jan-2018 | t11´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3504.75768492; Eh | |||
![]() | 29-Jan-2018 | t11´ | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3197.69858001; Eh | |||
![]() | 29-Jan-2018 | t10´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3504.75381686; Eh | |||
![]() | 29-Jan-2018 | t10´ | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3197.69270090; Eh | |||
![]() | 29-Jan-2018 | t9´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3504.75103608; Eh | |||
![]() | 29-Jan-2018 | t2_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3077.73994882; Eh | |||
![]() | 29-Jan-2018 | D_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d) | -1230.95522540; Eh | |||
![]() | 29-Jan-2018 | t2a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -2924.20195268; Eh | |||
![]() | 29-Jan-2018 | D | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d) | -923.902308690; Eh | |||
![]() | 29-Jan-2018 | t2 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -2924.21028595; Eh | |||
![]() | 29-Jan-2018 | M2´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d) | -615.483745571; Eh | |||
![]() | 29-Jan-2018 | t_10´-11´ | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); SDD | -3197.68406091; Eh | |||
![]() | 29-Jan-2018 | M2_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d) | -615.486637560; Eh | |||
![]() | 29-Jan-2018 | t_10´-11´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-31g(d); SDD | -3504.74410128; Eh | |||
![]() | 29-Jan-2018 | t12´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3504.75359055; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 73