I have prepared the titanium phthalocyanine and I need to dimerise it. Can anyone help me regarding this?
dear sir i have tried to open the link but it show 404 error
try opt ur molecule with b3lyp/lanl2dz, b3pldz/lanl2dz,pbepbe/lanl2dz combos they r suitable for opt 3d transition metals. i hope ur query is solved. if not i can furthur suggest u basis set combinations.
i have drawn a metal complex structure in Marvin and ACD labs chem sketch and chem draw and saved as Gaussian input format of the opening in the gauss view the coordinate and other bonds are dis...
05 June 2018 8,965 0 View
dear researchers i need the following book in pdf if any one have plz share with me Metallocenes: An Introduction to Sandwich Complexes 1st Edition by Nicholas J Long
04 May 2018 232 0 View
i need a procedure for how to covert tetra corboxylic acid phthalocyanin to tetra amide phthalocyanine and what are the reaction condition.
07 August 2015 2,408 1 View
can any one give the synthetic procedure for preparation of alkylated s-indacne.
07 August 2015 9,140 1 View
10 November 2014 2,942 6 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View
I am writing to request some information for making polymer color flakes. I would appreciate the help.
17 March 2021 0 0 View
I looking for ferro calcium production process
03 March 2021 1,755 4 View
I'm involved in a study of odor control technologies for municipal wastewater treatment plant. One of the control options involves a chemical 2-stage (acid/alkaline) packed bed scrubber. The...
03 March 2021 3,661 2 View