| Name | MP2 |
|---|---|
| Synonyms | FABP 8; FABP8; M FABP; MP2; Myelin P2 protein; P2; PMP 2; PMP2… |
| Name | carbon tetrachloride |
|---|---|
| CAS | tetrachloromethane |
| PubMed | Abstract | RScore(About this table) | |
|---|---|---|---|
| 20095686 | Li AH, Huang SC, Chao SD: Molecular dynamics simulation of liquid carbon tetrachloride using ab initio force field. J Chem Phys. 2010 Jan 14;132(2):024506. Intermolecular interaction potentials of the carbon tetrachloride dimer in 12 orientations have been calculated using the Hartree-Fock self-consistent theory and the second-order Moller-Plesset (MP2) perturbation theory. |
82(1,1,1,2) | Details |
| 17149926 | Nagy PI, Fabian WM: Theoretical study of the enol imine <--> enaminone tautomeric equilibrium in organic solvents. J Phys Chem B. 2006 Dec 14;110(49):25026-32. The tautomeric enol imine <--> enaminone <--> equilibrium of the 1--2-naphthaldehyde Schiff base (2-phenyliminomethyl-naphthalen-1-ol) was investigated by density functional theory (B3LYP) and ab initio (MP2) methods in the IEF-PCM polarizable continuum dielectric solvent approximation and by a combined ab initio + FEP/MC study by considering an explicit solvent model. |
2(0,0,0,2) | Details |
| 15366875 | Zhao YL, Houk KN, Rechavi D, Scarso A, Rebek J Jr: Equilibrium isotope effects as a probe of nonbonding attractions. J Am Chem Soc. 2004 Sep 22;126(37):11428-9. By using the MP2/6-311++G (d,p) method, the calculated equilibrium constants are consistent with the reported experimental data. |
1(0,0,0,1) | Details |
| 16553450 | Levering LM, Hayes CJ, Callahan KM, Hadad CM, Allen HC: Non-aqueous solvation of and spectroscopic and computational studies. J Phys Chem B. 2006 Mar 30;110(12):6325-31. Raman spectroscopy was used to examine the interactions of the free O-H bonds in and with the organic solvents carbon tetrachloride (CCl (4)), cyclohexane, and Calculated spectra were generated via MP2/6-31G* calculations and the B3LYP/6-31+G**//MP2/6-31G*-derived Boltzmann populations of each complex and are consistent with the experimental results. |
1(0,0,0,1) | Details |