This tag is for questions looking for a single specific, or a small number of (citable) references.

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4
votes
2answers
36 views

How to name the tautomers of hexane-2,4-dione correctly according to IUPAC rules?

Today I was considering to answer the question "Which tautomer of hexane-2,4-dione is more stable?" I wanted to run a few calculations and while preparing a directory structure I wanted to make sure ...
3
votes
0answers
62 views

Relative etch rates of nitric acid on metals and oxides

I am trying to either find or calculate the etch rate of nitric acid ($\ce{HNO3}$) for various different metals and oxides. The ones I am interested in are titanium ($\ce{Ti}$), zirconium ($\ce{Zr}$), ...
0
votes
0answers
16 views

Any Source for Water Methanol Composition Data?

I am making a composition inferential for water methanol solution. According to literature this is a non-ideal binary solution. So, I need a to devise a relation between Kideal and Kreal for both ...
0
votes
1answer
40 views

shortcut for remembering chemical formula [closed]

we know that carbon dioxide CO2 and sodium peroxide is Na2O2. can we make it out from their names like pero may be oxygen showing valency 1 and all. if somebody has the list please give it to me.
4
votes
1answer
33 views

Refrigeration for Cryochemistry −35 °C

I need to cool a tube containing liquid to −35 °C for a cold chemical experiment that will last about a week. The glass vessel I need cooled is 500 mL in volume and will be giving off $\ce{H2S}$ gas. ...
0
votes
0answers
33 views

Successful predictions of MO software?

There have been many successful predictions of MO software. Is there a website or journal dedicated to recording them all?
0
votes
0answers
33 views

Introduction to ball tumbler chemistry?

Chemistry that takes place in a ball tumbler is distinctly different from aqueous chemistry. Is there a good introduction to this method?
3
votes
1answer
114 views

Suggestions for simulating transport through membranes with Molecular Dynamics (MD) and Monte Carlo (MC)?

I'm intending to perform a simulation of the transport of simple ions or water through perm-selective membranes, using Molecular Dynamics (MD) and/or Monte Carlo (MC). I've read around that, in ...
0
votes
1answer
42 views

Is it possible to make plastic out of fibres?

Can we make plastic(bioplastic) from fibres (vegetable and fruit fibres)?
3
votes
0answers
62 views

Tables/database/literature of specific or optical rotation

I'm looking for a comprehensive reference of experimental specific rotation or optical rotation data. It can be a published literature review, a free web database with API access or one that permits ...
1
vote
0answers
35 views

Pharmaceutical grade phosphoric acid

I am looking for a specification for pharmaceutical grade phosphoric acid.
2
votes
1answer
109 views

A “Bible” for molecular orbital theory?

Linus Pauling wrote the famous "Nature of the Chemical Bond" which is a Bible of sorts for valence bond theory. However, VB theory was combined with crystal field theory to form molecular orbital ...
-1
votes
1answer
54 views

Density of plutonium oxide

I am trying to find the mass density $\rho$ of plutonium dioxide, $\ce{PuO2}$. I could calculate it, but the mass density of oxygen found in the literature is the density of gas oxygen. So I was ...
0
votes
0answers
53 views

Activation energy Values

Are there any standard literature values for the activation energies for the reactions: $$\ce{Na2CO3 + HCl -> NaCl + H2O + CO2}$$ $$\ce{CaCO3 + HCl -> CaCl2 + H2O + CO2}$$
2
votes
0answers
20 views

Reference request for properties of amorphous titanium carbide (a-TiC)

I assume through some side reaction I'm getting $\ce{TiC}$ in my $\ce{TiO2}$ samples after calcination and I need some basic information about the properties of amorphous $\ce{TiC}$. Is it ...
0
votes
0answers
57 views

Is PVC membrane roofing safe from a health perspective?

I'm interested only in the use aspect(for example, living on the last floor where PVC roof is used), not the production or utilization aspects. There are two opposite opinions about this question. ...
3
votes
1answer
74 views

Photochemistry of beta, gamma-unsaturated ketones

Is there a Norrish reaction for beta, gamma-unsaturated ketones? I know that Norrish reaction is used for saturated ketones, but in my homework I found this question. I have looked a lot in books and ...
0
votes
0answers
21 views

What is the standard enthalpy of combustion of maltodextrin?

Writing a lab about yeast metabolism and one metabolite we used was maltodextrin. I cannot find the standard enthalpy of combustion anywhere for this sugar but I can find it for the other sugars we ...
0
votes
1answer
29 views

Six independent papers reporting epitaxial formation of silicene in 2012

According to a Nature news article cited below (info-box "The rise of silicone"), six independent papers were published reporting successful epitaxial formation of silicene. Does anyone know which ...
1
vote
0answers
45 views

Rendering and visualization of orbitals of an atom? [duplicate]

I am looking for program that would display and render the orbitals of an atom. Preferably display all orbitals. Specifically Argon. Its not duplicate. I am looking for visual appealing rendered ...
2
votes
0answers
19 views

Shock induced illuminated material

Any suggestions for a shock induced material that would illuminate and be capable of being visible for a minimum of three seconds? Non-toxic and minimal heat production would be optimal.
1
vote
0answers
44 views

High quality phase diagram for ethanol

I know the more general question has been asked here: Open Database of Phase Diagrams? And this has a link to slightly more specific question with more answers: Phase diagram for first 10 elements ...
1
vote
0answers
32 views

reference or data on internal hydrogen bond strength

As suggested by the title, I am looking for data on the strength of different internal hydrogen bond configurations. In general, an internal hydrogen bond may form when the donor and acceptor are ...
4
votes
1answer
465 views

Does drinking milk helps long-term chemical poisoning?

I have hared some rumors that drinking milk helps chemical poisoning. I have done a bit research and some sources confirm that. Corrosive Poisons The best first aid is to dilute the poison ...
2
votes
1answer
38 views

Combustion properties of Dimethyl Ether

I have a C++ code which calculates the combustion thermodynamic variables (temperature, density) and the mass fractions of Dimethyl Ether for different equivalence ratio. I would like to check my ...
0
votes
2answers
103 views

Density of saturated n-Octane in air at 300K?

I am trying to calculate (if possible) the gas density of air saturated with n-Octane at $\rm 300\,K$. Any suggestion of how to do this, or better, where I can look up the data?
1
vote
1answer
54 views

What is the melting point of HfS2, HfSe2, ZrS2, ZrSe2?

I am currently working on these materials ($\ce{HfS2, HfSe2, ZrS2, ZrSe2}$) and I need to know the melting temperatures of these compounds before starting my work. Has anybody found the melting ...
2
votes
1answer
78 views

Enthalpy of formation and bond energies of CH2(OH)2?

I was wondering if I could have the bond energy and enthalpy of formation in kJ/mol for $\ce{CH2(OH)2}$? I honestly searched the Internet and my textbook and I couldn't find it. I'm sure I could ...
3
votes
0answers
52 views

Concise description of primary organic reaction types mechanisms

Long story short, I'm mostly doing calculations in the past 5 years of my scientific carrier and every year I get less and less confident in my knowledge of organic chemistry which besides was never ...
0
votes
1answer
135 views

What are the most extreme chemicals?

Some chemicals certainly have extraordinary properties. One can consider them extreme in a sense, that they are the prime example for a concept, or they achieve the highest or lowest values in a ...
0
votes
0answers
18 views

Resource recommendation to visualize voids in hexagonal unit cell

I started learning solid state chemistry recently. I am having great problem visualizing voids in hexagonal unit cell. Is there any online 3D model/drawing which can help me in visualizing? I need to ...
5
votes
6answers
418 views

Resources for learning Chemistry

Based on various other Stack exchange site (Mandarin Chinese, Russian and German), we adapt this project here for chemistry, since it's a great idea to have all kinds of resources in one place. This ...
1
vote
0answers
35 views

Where can I download hexagonanal unit cell in pdb or mol file? [closed]

I would like to render hexagonanal closed packed unit cell. Where can I download pdb or mol file? Here it is a fake one. If someone ever needs it. REMARK [HEXAGONAL SHOWING ADJOINING LATTICES] ATOM ...
4
votes
0answers
62 views

Accurate textbook about synthesis of (organophosphorus) chemical warfare agents

Lately I've been interested in the chemistry of nerve agents due to reading Patrick's Introduction to Medicinal Chemistry in which they were only briefly discussed. I bought the Handbook of Toxicology ...
25
votes
1answer
267 views

Is Hexafluorocyclohexane the “Most Polar” Small Molecule?

Earlier this year, there was a lot of attention when all-cis 1,2,3,4,5,6-hexafluorocyclohexane was synthesized*: Notably, C&E News quoted the lead author: This compound is remarkable for ...
5
votes
1answer
130 views

A thorough benchmark of DFT functionals without dispersion corrections

So, I'm looking for a benchmark of DFT functionals not including dispersion corrections. Something similar to Grimme's and coworkers GMTKN30 database, but for benchmark calculations done without ...
1
vote
0answers
51 views

Where can I find simple reaction rate formula for catalytic partial oxidation of methane? [closed]

I have already found equations here but they are too complex (heterogeneous reaction). I need a simplified (and so approximated, limited to such case, but this doesn't matter...) network of equations ...
4
votes
0answers
35 views

Where can I obtain research material on the synthesis of polypyrrole?

I'm studying Chemistry at A-level and a large part of the course is a researcher paper that takes most of the year. Conductive polymers interest me. I'm struggling to find any surfeited researcher on ...
5
votes
1answer
225 views

Synthesis of Oxalyl Chloride without using Phosphorus

I have been synthesizing TCPO (for chemiluminescent reaction) using 2,4,6 trichlorophenol and oxalyl chloride. Since I am tired of paying for oxalyl chloride (and hazard class 3 shipping), I wish to ...
16
votes
1answer
232 views

Is there any experimental evidence for OClF5?

On page 88 and 89 of this document, the author laments that $\ce{OClF5}$ has still not been discovered. He says it would be "just about the ultimate possible storable oxidizer" (for rockets). (Note: ...
1
vote
0answers
60 views

Where can I find CAD blocks for lab glassware?

I want to draw a sketch of my apparatus for my report. I am conversant with the AutoCAD drafting software. Where can I download CAD blocks for commonly used labware items (like round bottom flask, ...
5
votes
2answers
144 views

data repository of organic compounds

Does there exist any data repository of chemical compound that gives the structure of the compounds with the help of coordinate geometry. It would be like each atom has a coordinate and the list of ...
3
votes
0answers
34 views

Graph of compounds/reactions used on the industrial scale

I'm looking for a machine-readable database describing industrially useful reactions in terms of inputs, outputs, and (possibly) catalyzers etc. for a large portion of, or (much more preferable) the ...
0
votes
1answer
61 views

What are some good references on conductometry as an analytical technique?

Non of the standard undergraduate textbooks in analytical chemistry (such as Skoog, Harris) discusses conductometry as an analytical technique. I wonder whether this technique is obsolete. Or is it ...
6
votes
1answer
111 views

Finding large databases of sphere packings

Part of my research is investigating sphere packings and their properties.I really would like a large database of sphere packings that I could investigate using a program I have written that tells me ...
4
votes
1answer
104 views

Carbohydrate configurations

I want to study several carbohydrates that includes but not limited to the following molecules: Glucose Galactose Mannose Fructose Tagatose Sorbose I know that for any carbohydrate, possible list ...
16
votes
5answers
2k views

Which substance has the highest temperature range between melting and boiling point

Which substances exist that are normally liquid and that will not freeze nor boil even at relatively low/high temperatures as compared to the freezing and boiling points of water? Or how can I ...
4
votes
1answer
98 views

What are good books about MO theory that don't require a lot of math background?

Are there any books about MO theory that explain the theory to a certain detail but don't rely on a lot of math background or explain the math within the book?
7
votes
3answers
355 views

InChIKey generation from InChI

I am trying to find some good resources to understand generation of InChIKeys from the InChI. There seems to be no resource available online. I have gone through the Wikipedia article for InChI, but ...
2
votes
1answer
41 views

Sodium by electrolysis through glass

In his 1926 thesis Robert Cady Burts describes the production of sodium by electrolysis of sodium nitrate through glass. I can't find much else on this method. Are there any modern descriptions of ...