| Name | MP2 |
|---|---|
| Synonyms | FABP 8; FABP8; M FABP; MP2; Myelin P2 protein; P2; PMP 2; PMP2… |
| Name | biphenyl |
|---|---|
| CAS | 1,1′-biphenyl |
| PubMed | Abstract | RScore(About this table) | |
|---|---|---|---|
| 18629805 | Cacelli I, Lami CF, Prampolini G: Force-field modeling through quantum mechanical calculations: molecular dynamics simulations of a nematogenic molecule in its condensed phases. J Comput Chem. 2009 Feb;30(3):366-78. Interaction energy of the 4-n-pentyloxy-4'-cyanobiphenyl (5OCB) dimer is computed at MP2 level, for many geometrical arrangements using the Fragmentation Reconstruction Method (FRM). |
1(0,0,0,1) | Details |
| 19360792 | Pacios LF, Campos VM, Merino I, Gomez L: Structures and thermodynamics of biphenyl dihydrodiol stereoisomers and their metabolites in the enzymatic degradation of arene xenobiotics. J Comput Chem. 2009 Nov 30;30(15):2420-32. Structure and thermodynamics of stereoisomers of cis-, trans-2,3-biphenyl-dihydrodiols (I) and their dehydrogenation products (hydroxyketones, II), as well as final (2,3-biphenyldiol, III) are studied by means of ab initio MP2/6-311++G (2df,2p)//MP2/6-311G (d,p) calculations. |
81(1,1,1,1) | Details |