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1.
2.
Mukund G. Kulkarni Attrimuni P. Dhondge Dnyaneshwar D. Gaikwad Ajit S. Borhade Sanjay W. Chavhan 《Tetrahedron letters》2006,47(6):1003-1005
A two-step synthetic sequence for an efficient synthesis of 3-allylindoles is described. 相似文献
3.
Sanjib Kumar Saha Ajit Kumar Chaudhuri 《Journal of polymer science. Part A, Polymer chemistry》1987,25(2):519-532
The polymerization of methyl methacrylate was studied in carbon tetrachloride medium with ferric laurate, a metal soap, in combination with n-hexyl amine as the initiator system at 60°C. The rate of polymerization was found to be linear with the monomer concentration and proportional to the square root of both ferric ion and amine concentration. A reaction scheme involving initial complex formation between ferric ion and amine and subsequent reaction of the complex with the solvent molecule to produce free radicals responsible for initiation of polymerization has been postulated to account for the observed results. 相似文献
4.
The coupled-cluster approach to obtaining the bond-state wave functions of many-electron systems is extended, with a set of physically reasonable approximations, to admit a multiconfiguration reference state. This extension permits electronic structure calculations to be performed on correlated closed- or open-shell systems with potentially uniform precision for all molecular geometries. Explicit coupled cluster working equations are derived using a multiconfiguration reference state for the case in which the so-called cluster operator is approximated by its one- and two-particle components. The evaluation of the requisite matrix elements is facilitated by use of the unitary group generators which have recently received wide attention and use in the quantum chemistry community. 相似文献
5.
The Ramanujan Journal - For a positive integer $$\ell $$ , let $$b_{\ell }(n)$$ denote the number of $$\ell $$ -regular partitions of a nonnegative integer n. Motivated by some recent conjectures... 相似文献
6.
Prabir Kumar Pal Dipa Nandi Ajit Kumar Chaudhuri 《Journal of polymer science. Part A, Polymer chemistry》1989,27(5):1687-1699
The polymerization of methyl methacrylate initiated by cupric laurate in combination with benzoin has been investigated in carbon tetrachloride medium at 60°C. The rate of polymerization was found to be proportional to the square root of both cupric ion and benzoin concentrations, and to the 1.5th power of the monomer concentration. Spectral studies indicated that there is a complex formation between cupric ion and the monomer methyl methacrylate. A reaction scheme, based on initial formation of the complex and its subsequent reaction with benzoin to produce the free radicals responsible for initiation has been postulated to explain the observed results. 相似文献
7.
Esahak Ali Ajit K. Chakravarty Satyesh C. Pakrashi Klaus Biemann Charles E. Hignite 《Tetrahedron》1977,33(11):1371-1377
The structure of solanoforthine, m.p. 208–10°, [α]D- 26.6°, a new steroidal alkaloid isolated from Solanum seaforthianum Andr., has been established as 3β-amino-22,26-epimino-16α,23-epoxy-22αH,25βH-cholest- 5- en -23β - ol 3, based on chemical and spectroscopic evidence and by its reduction to solanocapsine 2, another steroidal alkaloid encountered in the same species. The mass spectra of2 and 3 are discussed. 相似文献
8.
Ajit J. Thakkar A. N. Tripathi Vedene H. Smith 《International journal of quantum chemistry》1984,26(2):157-166
The electronic intracule density, a three-dimensional contraction of the spinless electron pair density, is the probability density function for an interelectronic vector. A computationally efficient algorithm for the evaluation of the basic two-electron intracule integral for GTO s is presented. In order to provide an initial understanding of the topography of intracule distributions, anisotropic intracule densities for the X1Σ ground states of the H2 and N2 molecules are reported and analyzed. 相似文献
9.
Summary The halogen oxidation and nitrosylation of cis-[(SB)M-(CO)4] [M = Cr or Mo, SB = N,N-ethylenebis(p-tolualideneimine), N,N-ethylenebis(p-N,N-dimethylaminobenzalideneimine) or N,N-ethylenebis(methyl-p-methoxyphenylketimine); M = Mo, SB = N,N-ethylenebis-(cinnamylideneimine) or N,N-ethylenebis(methyl-p-methylphenylketimine)] have been studied. Halogenation of [(SB)Cr(CO)4] yielded [(SB)CrX2] (X = Cl, Br or I) where-as [(SB)Mo(CO)4] gave [(SB)Mo(CO)3X2] (X = Br or I) and [(SB)MoX
x
] (X = I, n = 2; X = Cl or Br, n = 4). NOCl produced [(SB)Cr(NO)2Cl2] and [(SB)Mo(CO)2(NO)Cl] when reacted with the corresponding [(SB)M(CO)4]. The complexes were characterized by physico-chemical and spectroscopic measurements. 相似文献
10.
Summary Medium-sized Gaussian basis sets are reoptimized for the ground states of the atoms from hydrogen through argon. The composition of these basis sets is (4s), (5s), and (6s) for H and He, (9s5p) and (12s7p) for the atoms Li to Ne, and (12s8p) and (12s9p) for the atoms Na to Ar. Basis sets for the2
P states of Li and Na, and the3
P states of Be and Mg are also constructed since they are useful in molecular calculations. In all cases, our energies are lower than those obtained previously with Gaussian basis sets of the same size. 相似文献