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Questions tagged [reference-request]

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

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Free Web-Based Orbital Solver to look into the Walsh orbitals of a perturbed cyclopropane

There exists a free online orbital calculator. When I draw cyclopropane it plots three molecular orbitals, but unfortunately it doesn't use the Walsh orbitals. Are there any free online tools which ...
laminin's user avatar
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8 votes
0 answers
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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 ...
pentavalentcarbon's user avatar
7 votes
0 answers
256 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 ...
Jori's user avatar
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7 votes
0 answers
378 views

What is the most accepted explanation of aurophilicity?

Gold has a special property called aurophilicity. Inorganic chemistry by Huheey has some explanation, but that was not enough to clear the conception.
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6 votes
0 answers
158 views

Which xylenes, if any, are immiscible with DMSO?

"Xylene" is reported to be immiscible with dimethyl sulfoxide (DMSO), according to a few solvent miscibility tables found online (chart 1, chart 2, chart 3). I have tried to locate some ...
Anger Density's user avatar
6 votes
0 answers
352 views

Geometry of a free radical at the bridgehead carbon

With reference to J. Am. Chem. Soc. 1968, 90 (19), 5266–5267, they state: The most favorable geometry of aliphatic free radicals remains an unsolved problem, since existing data are consistent with a ...
Safdar Faisal's user avatar
6 votes
0 answers
271 views

Where to find experimental spin-orbit coupling constants?

I am searching for experimental spin-orbit coupling constants, particularly for main group elements and Cr(0) to calculate correlation consistent Composite Approach (ccCA) energetics. This method ...
The_Freycook's user avatar
6 votes
0 answers
912 views

Reaction rate constants for methane combustion

I can't find a rate constant or activation energy for the methane combustion reaction given by: $$\ce{ CH4 + 2O2 -> CO2 + 2H2O}$$ Do all reactions have a rate constant? The NIST web site lists ...
Larry's user avatar
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5 votes
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166 views

Does chromium(III) oxide react with or dissolve in liquid sulfur dioxide?

Liquid $\ce{SO2}$ (b.p. −10 °C) is known as a versatile solvent (yet not particularly pleasant to work with) for a wide range of organic and inorganic compounds having limited solubility in ...
andselisk's user avatar
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5 votes
0 answers
98 views

Anomaly in Faraday's constant measurements

I was reading someone's biography, where the writer stated his early interest in Faraday's constant measurements (this is set six decades ago). My understanding was that Faraday constant is a true ...
ACR's user avatar
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5 votes
0 answers
107 views

Advanced Quantum Chemistry Reference for Reactivity Phenomena

I'm currently in organic synthesis seeking to develop quantitative "physical" (that of a physicist), rather than "chemical", intuition for areas where traditional VSEPR/ MO models cannot fully ...
Dragonsheep's user avatar
4 votes
0 answers
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Mapping of half-life decay for all elements/isotopes

Is there an open resource that helps illustrate all paths of decay for all isotopes (e.g. $\ce{^{99}Mo}$ decaying to $\ce{^\mathrm{99m}Tc})?$ I know the result state/transition map would be massive, ...
VenomFangs's user avatar
4 votes
0 answers
82 views

Calculating the energy of a molecule using probability distributions

I wish to calculate the energy for a protein where the position of all the C-alpha atoms is known. One way is to calculate the pairwise distances between the atoms and then look up a probability ...
Chris's user avatar
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4 votes
0 answers
317 views

How to get the second electron affinity of tellurium?

I need the value of the second electron affinity of Te, i.e. the energy change associated with the attachment of an electron to a $\ce{Te-}$ anion $$\ce{Te- + e- -> Te^{2-}}$$ In the books (e.g. J. ...
Vladislav Gladkikh's user avatar
4 votes
0 answers
150 views

Consumer Report for Lab Equipment

I'm just wondering if anybody here knows of a Consumer-Report-like publication for lab equipment. Something that would give the specifics, as, for example, the flow rate of a distilling condenser, etc....
Yosef Qian's user avatar
3 votes
0 answers
653 views

Advantages of p-toluenesulfonic acid over sulfuric acid in the formation of acetals

I am currently working on an undergraduate experiment to form a cyclic acetal. We were asked to use p-toluenesulfonic acid as a catalyst rather than sulfuric acid. This seems to be common practice ...
jona173's user avatar
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3 votes
0 answers
213 views

What is "activated red phosphorus"?

[WP = white phosphorus ; RP = red phosphorus ; ARP = activated red phosphorus] A YT channel, Extraction & Ire has a video from two years ago (2018) on converting WP to RP by keeping the former in ...
Nilay Ghosh's user avatar
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3 votes
0 answers
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How does one calculate the electronic difference density in practice?

I am interested in calculating electronic difference density maps. These have been described for quite a long time by Bader and others. For example, below is the fourth of a series of papers which ...
jheindel's user avatar
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3 votes
0 answers
78 views

Is there a standardized way to assign a label to the symbol of a chemical element (in a published work)?

When referring to a particular atom, both in text and when using a graphical representation, several conventions are being applied. In the field of crystallography an arabic numeral either follows ...
andselisk's user avatar
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3 votes
0 answers
584 views

How to tell 'orthokinetic' apart from 'perikinetic' based on their prefixes?

During a test in colloid and surface chemistry, students were asked to distinguish between two terms: orthokinetic and perikinetic coagulation. The rate of aggregation is in general determined by ...
Linear Christmas's user avatar
3 votes
0 answers
340 views

How to get the SMILES from structure without software?

Usually I use online programs and structure drawing tools to find the SMILES of a compound. How to find the SMILES without software? Where to find resources to learn it?
Pritt says Reinstate Monica's user avatar
3 votes
0 answers
121 views

Error hunting: Guidelines on detecting error cancellation and locating their sources as much as possible?

It is known in computational chemistry, when computing e.g. electronic ground states energy and geometric paramters (bond lengths, angles, torsions etc.) of a given molecule using an ab initio or DFT ...
Secret's user avatar
  • 698
3 votes
0 answers
277 views

How/where can I find a reliable atomic radii table?

I am currently working on a periodic table to include it in a experimental chemistry book and I would like to include non-bonded atomic radii data so it would be easier for the students to learn about ...
Guilherme Cruz's user avatar
3 votes
0 answers
142 views

Material that acts as a "sponge" for sulfuric acid?

I would like help with a materials problem I am looking into that pertains to a product I would like to develop. What I seek is some kind of substrate that acts like blotter paper does. Ideally, the ...
Freddy Tuxworth's user avatar
3 votes
0 answers
261 views

Understanding mzML, specifically precursor mass

I'm a Biotechnologist and computer scientist, migrating into the field of Mass Spec. for my new position. Some things I know well, and others not at all. Please be patient :) I'm working with OpenMS, ...
BurningKrome's user avatar
3 votes
0 answers
259 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 ($\ce{Zr}$), ...
iwantmyphd's user avatar
3 votes
0 answers
57 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 ...
Deer Hunter's user avatar
2 votes
0 answers
409 views

Names of the f suborbitals. (Reference Request)

Today, I have been browsing the internet to know the names of the "f" orbitals. But I have varying answers on the web. Different sources seem to be stating different names. Like here, and ...
Habib's user avatar
  • 795
2 votes
0 answers
26 views

Chemical safety information: Where to look to find out how poisonous poisons are?

Could someone point me toward a primer on how to read the toxicity warnings on standard chemical data sheets? Or alternatively, where one should look for more precise information than is contained on ...
andrewH's user avatar
  • 167
2 votes
0 answers
59 views

Is there a better coordinate framework and symmetry operator for constructing molecular orbitals of molecules with higher-order geometry?

The following excerpt is taken from [1] (with a few rewording, emphasizes are mine). In an attempt to construct molecular orbital (MO) of any molecule, one needs to determine the symmetries of ...
làntèrn's user avatar
  • 639
2 votes
0 answers
111 views

Equilibrium Constants for Diatomic Gases at High Temperatures

I'm new here and I haven't taken chemistry beyond high school, so please forgive the ignorance. I am reading a book about hypersonic aerodynamics, and I am trying to connect some chemistry knowledge ...
Publius's user avatar
  • 31
2 votes
0 answers
195 views

What is the activation energy barrier of uncatalyzed nitrogen fixation?

I'm interested in the activation energy ($E_\mathrm a$) of uncatalyzed aqueous nitrogen fixation: $$\ce{3 H2 + N2 -> 2 NH3}$$ Biology performs this reaction with the nitrogenase enzyme at room ...
nicholaswogan's user avatar
2 votes
0 answers
228 views

Which material are piezoelectric buzzers made of?

Which material are these buzzers made of? Does it depend on the manufacturer or they all are made of the same material? The Wikipedia page does not say anything about the material. I found some ...
Vladislav Gladkikh's user avatar
2 votes
0 answers
125 views

Antisymmetrized Product of Strongly Orthogonal Geminal (APSG) method

To get a deeper understanding of electronic structure methods, like Hartree-Fock, MP2, and Coupled Cluster method, there are many small programs (codes) available in Python, C++ or Fortran, for ...
UCU110's user avatar
  • 131
2 votes
0 answers
90 views

Single crystal LiF solid state NMR

I haven't been able to find any literature on $\ce{^{19}F}$ solid state NMR studies of $\ce{LiF}$ crystals, not even $\ce{LiF}$ powders. Is there any NMR chemists who is familiar with $\ce{LiF}?$ Any ...
user64620's user avatar
  • 121
2 votes
0 answers
58 views

Can someone suggest me important references for deriving EOM in MCSCF?

I am currently starting a project dealing with MCSCF method. Can someone please give me references (papers or lecture notes are preferred) which may be considered as the "corner stones" in the history ...
nougako's user avatar
  • 261
2 votes
0 answers
30 views

Help finding a thixotropic suspension with specific properties for 3d printing

I currently doing research on 3d printing on circuit boards. The technique we are using is to put a conductive material, I.e ceramics/metal in a gel/polymer, to print the suspension and then when is ...
Intent Filters's user avatar
2 votes
0 answers
243 views

Reaction of PLA plastic with methane or carbon dioxide

PLA (polylactic acid) plastic is commonly used for 3D printing, and I would like to create a 3D printed part that can be used in an experiment with methane ($\ce{CH4}$) and carbon dioxide ($\ce{CO2}$) ...
Nicholas Kinar's user avatar
2 votes
0 answers
110 views

Reference for assignment of symmetry (term symbols) of electronic states

I am looking for a textbook and/or internet resource where I can find the reference for assignment of symmetry of electronic states systematically. For example, $$ \ce{^1\Delta^{}_{g}}, \ce{^3\Sigma^{...
ankit7540's user avatar
  • 1,582
2 votes
0 answers
104 views

Brownian motion of colloids at high density

Colloidal particles in dilute suspensions tend to perform a universal type of Brownian motion at finite temperature, according to the Stokes Einstein relation $D\approx\frac{k_BT}{6\pi \eta r}$ in the ...
TLDR's user avatar
  • 143
2 votes
0 answers
30 views

For Penicillin Binding proteins, why is the Enzyme-peptide complex less stable than an enzyme-β-lactam complex?

I'm trying to figure this out. I cannot find any publications that go into good detail about the chemistry of PBP inhibition by β-lactam antibiotics. PBPs cross-link adjacent pentapeptides to form ...
user42247's user avatar
2 votes
0 answers
103 views

Looking for solubility kinetics of zinc chloride hydroxide monohydrate

$\ce{Zn5(OH)8Cl2.H2O}$ is a crystalline solid insoluble in water. Often used as nutritional supplement. Preparation and chemistry of zinc chloride hydroxide monohydrate is known. I am looking for some ...
Jaroslav Kotowski's user avatar
2 votes
0 answers
45 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 ...
user40014's user avatar
  • 517
2 votes
0 answers
877 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 ...
LMHmedchem's user avatar
2 votes
0 answers
433 views

What is the explanation of the odd even effect in liquid crystals?

What is the most accepted theory for explaining the odd even effect in liquid crystals? Can anyone explain and refer the corresponding paper?
user avatar
2 votes
0 answers
115 views

Ink / formulation chemistry: What lab requirements

Little open information can be found on the requirements of the manufacture, development and testing of gel and printing inks. It seems that most ink manufacturers have their own specific lab ...
rtoip's user avatar
  • 21
2 votes
0 answers
105 views

Nomenclature in Other languages

Even one letter can make a huge difference in Chemistry Nomenclature. So I am looking for credible resources that is specifically published for explaining Nomenclature rules, examples in Spanish. Any ...
bonCodigo's user avatar
  • 1,944
2 votes
0 answers
412 views

Delta G values for Pyruvate--> Alanine vs. Oxaloacetate -> Aspartate ->Asparagine

What are the delta G values for the mammalian (human) biosynthesis of alanine from pyruvate, and for the conversion of oxaloacetate to asparagine? (assuming no particular cellular restriction or other ...
Little White Lithe's user avatar
2 votes
0 answers
288 views

Graph theory, isomer enumeration and chemical graph theory

Where could we find a good description of graph theory applied to the general problem of isomer enumeration and chemical graph theory?
riemannium's user avatar
2 votes
0 answers
106 views

Reference to find dielectric constants and dielectric relaxation time

I am working on a Master degree and need to know the following data : The static (low frequency) dielectric constant of isopropanol at 25 °C The Optical (high frequency) dielectric constant of ...
user2628's user avatar