User F'x

18

61

votes

4

answers

50k

views

How can one explain niobium’s weird electronic configuration?

electronic-configuration transition-metals

Aug 22 '19 at 15:31 shibu sarkar 1

18

56

votes

2

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3k

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Striking examples where Kohn-Sham orbitals clearly have no physical meaning

computational-chemistry orbitals density-functional-theory

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12

52

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2

answers

54k

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melting-point metal

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29

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4

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9k

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organic-chemistry inorganic-chemistry nomenclature terminology

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7

28

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3

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895

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What's a minimal yet chemically-meaningful kinetic system for an oscillating reaction?

kinetics theoretical-chemistry

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27

votes

1

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2k

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4

26

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1

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10k

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Why do people often capitalize element names?

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7

25

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4

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What software can calculate aqueous solution equilibria?

equilibrium software aqueous-solution acid-base

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23

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1

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39k

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everyday-chemistry acid-base food-chemistry

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3

22

votes

2

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2k

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stereochemistry

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3

22

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5

answers

4k

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7

22

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3

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9k

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What open-source software can produce 3D PDF representation of molecules?

software

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4

18

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1

answer

2k

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solvents stability

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1

16

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1

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5k

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nomenclature stereochemistry

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1

15

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1k

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Why is slush hydrogen at the triple point?

thermodynamics hydrogen

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15

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1

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1k

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Naming of quantum chemistry basis sets

computational-chemistry basis-set quantum-chemistry

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2

11

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3

answers

933

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Should one pronounce “periodic” the same in “periodic acid” and “periodic table”?

terminology

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2

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7k

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symmetry group-theory

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Are Pulay forces expensive to compute?

computational-chemistry basis-set

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1

9

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1

answer

2k

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What's the chemical nature of a dishwasher's rinsing agent?

everyday-chemistry water surfactants

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146

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Heaviest atom with which chemistry has been performed?

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415

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computational-chemistry

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2

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367

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Are all cubic point groups encountered?

symmetry

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Z-matrix of a series of 5 colinear atoms

theoretical-chemistry

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1

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synthesis

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Rotation energy barrier for carboxypyrazolate

conformers energy

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crystal-structure symmetry group-theory

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53

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Cyclic polyynes

organic-chemistry synthesis

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307

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Computational methods to obtain relative energies of electronic configurations of atoms

computational-chemistry atoms electronic-configuration

Aug 12 '16 at 13:57 Community♦ 1

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35 Questions

How can one explain niobium’s weird electronic configuration?

Striking examples where Kohn-Sham orbitals clearly have no physical meaning

What makes some metals melt at higher temperature?

Is activated carbon classified as organic or inorganic?

What's a minimal yet chemically-meaningful kinetic system for an oscillating reaction?

Why did the Rio 2016 pool water turn green?

Why do people often capitalize element names?

What software can calculate aqueous solution equilibria?

How does adding lemon juice to sugar make better caramel?

Why don't trigonal S and P compounds undergo inversion at room temperature?

Are there any ionic amorphous solids?

What open-source software can produce 3D PDF representation of molecules?

What dictates the lifetime of a solvated electron in a given solvent?

How are non-carbon stereogenic centers named (S/R)?

Why is slush hydrogen at the triple point?

Naming of quantum chemistry basis sets

Should one pronounce “periodic” the same in “periodic acid” and “periodic table”?

How does one recognized Td/Oh symmetry in molecules?

Are Pulay forces expensive to compute?

What's the chemical nature of a dishwasher's rinsing agent?

Heaviest atom with which chemistry has been performed?

What is ideal water hardness for brewing coffee?

Efficiency of various Ewald-type schemes for the summation of electrostatic interactions

Are all cubic point groups encountered?

Z-matrix of a series of 5 colinear atoms

How can one synthesise a conjugated alkyne chain?

Rotation energy barrier for carboxypyrazolate

Are these two space groups in a group–subgroup relationship?

Cyclic polyynes

Computational methods to obtain relative energies of electronic configurations of atoms