| Name | MP2 |
|---|---|
| Synonyms | FABP 8; FABP8; M FABP; MP2; Myelin P2 protein; P2; PMP 2; PMP2… |
| Name | carbon disulfide |
|---|---|
| CAS | carbon disulfide |
| PubMed | Abstract | RScore(About this table) | |
|---|---|---|---|
| 18613069 | Deng C, Wu XP, Sun XM, Ren Y, Sheng YH: Neutral hydrolyses of carbon disulfide: An ab initio study of water catalysis. J Comput Chem. 2009 Jan 30;30(2):285-94. The water-catalyzed hydrolysis reaction of carbon disulfide (CS (2)) has been investigated at the levels of HF and MP2 with the basis set of 6-311++G (d,p) using the combined supramolecular/continuum models, in which up to six water molecules are involved in the hydrolysis and the effect of water bulk solvent is taken into account according to the polarizable continuum model (PCM). |
31(0,1,1,1) | Details |
| 17461639 | Kirschner KN, Hartt GM, Evans TM, Shields GC: In search of CS2 (H2O)(n=1-4) clusters. J Chem Phys. 2007 Apr 21;126(15):154320. Gaussian-3 and MP2/aug-cc-pVnZ methods have been used to calculate geometries and thermochemistry of CS (2)(H2O) n, where n=1-4. |
4(0,0,0,4) | Details |
| 16392857 | Rode JE, Dobrowolski JC: Reaction paths of the [2+2] cycloaddition of X=C=Y molecules (X, Y=S or O or CH2). J Phys Chem A. 2006 Jan 12;110(1):207-18. The reaction paths of [2+2] cycloaddition of the X=C=Y cumulenes were modeled at the MP2/aug-cc-pVDZ level. |
1(0,0,0,1) | Details |
| 11149836 | Fabian J, Krebs A, Schonemann D, Schaefer W: 1,3-Heterocumulene-to-alkyne . J Org Chem. 2000 Dec 29;65(26):8940-7. Transition structures and energy barriers of the concerted prototypical cycloaddition reaction of 1,3-heterocumulenes (S=C=S, S=C=NR, RN=C=NR, and heteroanalogs) to acetylene resulting in nucleophilic carbenes were calculated by G2 (MP2) and CBS-Q ab initio quantum chemical and by density functional theory (DFT) methods. The reaction of carbon disulfide and acetylene has a lower reaction barrier than that of carbodiimide and acetylene although the first reaction is less exothermic than the second one. |
1(0,0,0,1) | Details |
| 15828311 | Zhang XY, Luo XL, Kong XL, Zhang W, Li HY: [Study on visible chemiluminescence from reaction of microwave discharge of CF4/Ar with carbon disulfide]. Guang Pu Xue Yu Guang Pu Fen Xi. 2004 Dec;24(12):1502-5. The geometries and frequencies of possible reaction products were respectively investigated at the B3LYP/6-311 + + G (3df, 2pd) and MP2/6-311 + G (d, p) levels. |
1(0,0,0,1) | Details |