What is the dielectric constant of phosphoric acid?

I need to optimize few structures in a dielectric medium particularly in phosphoric acid. Can anyone help me with this ? I am unable to find the exact value of dielectric constant of phosphoric...

31 December 2016 4,610 2 View

How to calculate binding energy using Gaussian 09?

I have few systems and I would like to calculate binding energy for them using Gaussian 09 package. Could you please anyone suggest how to do it? Thank you so much in advance.

01 February 2016 6,115 13 View

How can I calculate how much is the charge transferred between ground and excited states?

Hi, I calculated total density cubes using SCF and CI methods for both ground and excited states. Now I would like to calculate the difference between those two because it gives the information...

01 February 2016 7,594 3 View

Frequency Job stuck in between without an error what might be the reason?

Basically we are trying to calculate the frequency for a particular system but it was stuck in between without showing any error. We are using Gaussian 09 package for our study. The following...

31 December 2015 3,930 3 View

Is there any way to calculate the Dielectric constant of a mixture of two solvents?

I would like to know the Dielectric constant of a mixture of two solvents. In order to optimize few systems in a particular dielectric constant to study the structural properties of few organic...

10 November 2015 8,501 5 View

How can I optimize inorganic complexes?

10 November 2014 7,569 8 View

How do you specify the scaling factors?

10 November 2014 3,483 1 View

Will scaling factors affect the absorption spectra?

I am trying to get the absorption spectra for a few molecules but I could not reach the experimental value. Can anyone suggest what to do? (Please provide one or two references)

10 November 2014 8,575 4 View

How can one put a -ve charge along with a radical on a molecule ?

10 November 2014 2,846 2 View

How do we use scaling factors for the Gaussian calculations?

I am trying to optimize a basis set and a particular level of theory to reach the experimental results for UV-Visible spectrum. Can anyone suggest how to incorporate the scaling factors...

09 October 2014 7,310 5 View

Could you recommend any books about Number Theory?

Beginner level books. High level books. Analytical Number Theory. Algebraic Number Theory. Combinatorical Number Theory. Books about partitions. Books about primes.

03 March 2021 7,174 5 View

What kind of intervention will be relevant to increase motivation among young sport trainees?

Any suggestion on what book to read is also welcome.

03 March 2021 1,646 4 View

How the parameters (such as Mw, Chemical bonds, polymer bland and so on) affect the mechanic property of polymer (such as storage, loss modulus) ?

Anyone can recommend any books on such topics? Thanks in advance.

02 March 2021 8,457 2 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View

Please suggest a good text book for "Research Methodology in Life Sciences". Which book would be good for PhD Scholars?

Please provide Book Title and author name

02 March 2021 9,059 3 View

Which is a lucid standard comprehensive book to guide on psychological scale construction and its standardization?

02 March 2021 7,082 3 View

What element is driving the different slop in the low frequency tail?

My study consists simple corrosion inhibitors in salty brine. Right now I just fit my circuit with randles with CPE. Just wondering how the slop can given more info of the experiment. Or any...

01 March 2021 6,474 3 View

Genome-wide gene identification protocol ?

Is there any book chapter/book, webpage or research article available to understand genome-wide gene identification?

28 February 2021 8,095 1 View

Any suggestions or recommendations on a good publishing house based on the African for academic books in the field of Communication and media studies?

I am currently working on a book on Public Relations (from an African perspective) and the rationale behind the book is the fact that as instructors in this field, we borrow instances and case...

19 February 2021 2,482 2 View

Which books and review articles describe well the current state of deep reinforcement learning for the optimal control of physical processes?

I am going to treat in a lecture the application of deep reinforcement learning for the optimal control of physical processes. Therefore, I am looking for the best references. Besides the classics...

16 February 2021 1,006 6 View