6 Questions 3 Answers 0 Followers
Questions related from Hans Floro Zenteno Gora
Hello, I have trouble interpreting the isosurface of the pi electron character of coumarin (see figures), please, I ask for your suggestions, thank you.
09 September 2018 3,538 5 View
Hello, these are graphics generated with Gaussian for an already optimized molecule. Could you indicate from Figure 1, where an electrophilic attack and a nucleophilic attack are most likely?...
03 March 2018 5,840 11 View
Hi, I can not optimize a palladium (II) coordination complex in Gaussian 09W, the calculation ends with an error. Should I treat the wave function as an open shell or as a closed shell? Thank you
03 March 2018 6,261 7 View
In a conformational analysis, I have found that by varying the dihedral angle C-C=N-N (See attached picture) of a thiosemicarbazone derivative a conformer b is obtained which is more unstable than...
03 March 2018 7,823 3 View
Which is the most appropriate translation of "electronic density depletion" to the Spanish language? I have problems mainly with the word "DEPLETION", would it be correct to translate DEPLETION to...
03 March 2018 4,392 2 View
Hi, I can not optimize a palladium (II) coordination complex in Gaussian 09W, the calculation ends with an error, I enclose the input file that I used. Thank you
03 March 2018 6,098 4 View
