Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/3a_Me 3a_me_IM1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1593.89829792; Eh | |||
/3a_Me 3a_me_R | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1593.92422735; Eh | |||
/3a_Me 3a_me_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1593.89644731; Eh | |||
/3a_Me 3a_me_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1593.85158439; Eh | |||
/3a_Me 3a_me_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1593.86740111; Eh | |||
/3a_Me 4a_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1593.89144154; Eh | |||
/3a_Me 4a_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1593.92845707; Eh | |||
/3b_tBu 3b_tbu_IM1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1711.77845074; Eh | |||
/3b_tBu 3b_tbu_R | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1711.80423741; Eh | |||
/3b_tBu 3b_tbu_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1711.77843108; Eh | |||
/3b_tBu 3b_tbu_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1711.73886707; Eh | |||
/3b_tBu 3b_tbu_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1711.75319103; Eh | |||
/3b_tBu 4b_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1711.77831568; Eh | |||
/3b_tBu 4b_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1711.81492232; Eh | |||
/3c_iPr 3c_ipr_R | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1672.51398028; Eh | |||
/3c_iPr 3c_ipr_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1672.44353790; Eh | |||
/3c_iPr 3c_ipr_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1672.46130334; Eh | |||
/1t 1t_IM1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1615.14987665; Eh | |||
/1t 1t_R | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1615.17385686; Eh | |||
/1t 1t_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1615.14931638; Eh | |||
/1t 1t_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1615.12074482; Eh | |||
/1t 1t_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1615.14150758; Eh | |||
/1t 2t_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1615.18033604; Eh | |||
/1t 2t_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1615.21827413; Eh | |||
/1s 1s_IM1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1497.26805864; Eh |
Results 1-25 of 31 (Search time: 0.157 seconds).