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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
25-Feb-2021 | //ht_paper_misc h2_h2o_m06l//ht_paper_misc/h2_h2o_m06l H2O m06l-H2O | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM06L | 6-31G(D,P) 6-31+G(D) GEN | -76.4338163730; Eh | ||||
25-Feb-2021 | //ht_paper_misc h2_h2o_m06l//ht_paper_misc/h2_h2o_m06l H2 m06l-h2 | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM06L | 6-31G(D,P) GEN | -1.16757060113; Eh |
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