Profile Activity

CoffeeIsLife

Meta user

Network profile

Reputation

3,904

3.9k
2.2k
505

2016
2017
2018
2019

Top tag

computational-chemistry

Next privilege

5,000 Rep.

Approve tag wiki edits

Badges

Newest

Custodian

Next badge

32/500

Impact

12 posts edited

32 helpful flags

503 votes cast

Summary Answers Questions Tags Badges Favorites Bounties Reputation All actions

28 Questions

Views Newest Activity Votes

votes

answers

views

A comprehensive list of theoretical approximations that are used in computational chemistry

computational-chemistry theoretical-chemistry

Oct 17 '17 at 18:09 Fl.pf. 1,444

votes

answer

24k

views

Why do bubbles form when it rains?

physical-chemistry everyday-chemistry

Jul 19 '16 at 15:54 Community♦ 1

votes

answer

307

views

Help with derivation on why antibonding orbitals are more antibonding

physical-chemistry quantum-chemistry molecular-orbital-theory

Jan 26 '17 at 21:26 Community♦ 1

votes

answers

904

views

Why are basis sets needed?

computational-chemistry basis-set

Oct 30 '16 at 9:43 porphyrin 20.3k

votes

answer

452

views

How are the atomic orbitals for multi electron atoms obtained?

quantum-chemistry computational-chemistry

Oct 8 '16 at 16:00 paracetamol 16.4k

votes

answer

193

views

The Krieger-Li-Iafrate Approximation

computational-chemistry

Nov 16 '17 at 23:03 Community♦ 1

votes

answer

446

views

Does computational chemistry include neutrons in ground state calculations?

computational-chemistry

Nov 15 '16 at 13:04 hBy2Py 15.6k

votes

answer

views

There are no wavefunctions in DFT

computational-chemistry density-functional-theory

May 11 '16 at 9:04 Community♦ 1

votes

answer

205

views

Ab initio effective potentials

quantum-chemistry computational-chemistry density-functional-theory ab-initio

Aug 25 '18 at 11:39 Zythos 578

votes

answers

904

views

Core cutoff radius and energy cutoff radius in pseudo potential DFT

computational-chemistry

Feb 2 '17 at 7:15 Paraquat 364

votes

answer

282

views

Is there proof that the exact exchange correlation functional is an analytic function?

computational-chemistry density-functional-theory

Dec 25 '16 at 14:32 Community♦ 1

votes

answer

196

views

Are there other Density Functional Theories other than Kohn Sham DFT?

computational-chemistry density-functional-theory

Nov 29 '16 at 16:00 Fl.pf. 1,444

votes

answer

520

views

Car Parinello advantages and disadvantages

computational-chemistry

Aug 9 '16 at 14:35 Rampallian 413

votes

answers

716

views

Is there a difference between Close Cubic Packing and Face Centered Packing?

inorganic-chemistry crystal-structure terminology materials

Jan 20 '17 at 5:33 A.K. 11.1k

votes

answer

143

views

Viscosity of two different solutions

physical-chemistry mixtures viscosity

Oct 23 '15 at 16:46 Mithoron 4,021

votes

answers

views

How to figure out if the reaction proceeds via SN1 or SN2 mechanism?

organic-chemistry reaction-mechanism experimental-chemistry

Aug 18 '14 at 12:54 Martin - マーチン♦ 36.9k

votes

answer

806

views

Non-hardening adhesive

everyday-chemistry polymers

Oct 30 '15 at 17:40 wythagoras 881

votes

answers

662

views

If polar non-polar intermolecular forces are stronger, why do polar compounds elute first in GC?

analytical-chemistry intermolecular-forces

Jan 21 at 19:37 Karsten Theis 12.4k

votes

answers

views

Band alignment of heterojunctions

electronic-configuration solid-state-chemistry semiconductors

Jul 2 '18 at 16:54 A.K. 11.1k

votes

answers

views

What are some problems that arise from using LCAO (Linear Combination of Atomic Orbitals)? [closed]

computational-chemistry

Sep 10 '16 at 3:39 Todd Minehardt 9,066

votes

answer

833

views

Computational Chemistry (Ab Initio), what should I study?

computational-chemistry

Feb 5 '16 at 5:34 Melanie Shebel♦ 5,915

votes

answer

996

views

Is an SN1 reaction an elementary reaction/one step reaction?

reaction-mechanism kinetics terminology

Oct 9 '15 at 15:47 M.A.R. 9,286

vote

answer

208

views

The science behind fertilizers

organic-chemistry inorganic-chemistry environmental-chemistry

Jun 22 at 13:46 Rodrigo de Azevedo 1,034

vote

answer

358

views

Cleaning butyl rubber

organic-chemistry everyday-chemistry

Feb 28 '17 at 21:57 airhuff 15.6k

vote

answers

views

Computational chemistry: is k a quantum number

quantum-chemistry computational-chemistry

Nov 6 '16 at 5:31 CoffeeIsLife 3,904

vote

answer

views

Shouldn't MSDS data on products be publicly disclosed?

everyday-chemistry safety

Oct 6 '16 at 19:58 Jan 54.2k

votes

answer

views

Accuracy of FP-LAPW vs Plane Wave Pseudopotential: examples

computational-chemistry software basis-set

Dec 1 '16 at 9:38 CoffeeIsLife 3,904

votes

answer

148

views

Number of electrons in pseudo wavefunction and all electron wavefunction in pseudopotentials

computational-chemistry

Sep 7 '16 at 11:53 santanu saha 36

Stack Exchange Network

current community

your communities

more stack exchange communities

Next privilege

Next badge

28 Questions

A comprehensive list of theoretical approximations that are used in computational chemistry

Why do bubbles form when it rains?

Help with derivation on why antibonding orbitals are more antibonding

Why are basis sets needed?

How are the atomic orbitals for multi electron atoms obtained?

The Krieger-Li-Iafrate Approximation

Does computational chemistry include neutrons in ground state calculations?

There are no wavefunctions in DFT

Ab initio effective potentials

Core cutoff radius and energy cutoff radius in pseudo potential DFT

Is there proof that the exact exchange correlation functional is an analytic function?

Are there other Density Functional Theories other than Kohn Sham DFT?

Car Parinello advantages and disadvantages

Is there a difference between Close Cubic Packing and Face Centered Packing?

Viscosity of two different solutions

How to figure out if the reaction proceeds via SN1 or SN2 mechanism?

Non-hardening adhesive

If polar non-polar intermolecular forces are stronger, why do polar compounds elute first in GC?

Band alignment of heterojunctions

What are some problems that arise from using LCAO (Linear Combination of Atomic Orbitals)? [closed]

Computational Chemistry (Ab Initio), what should I study?

Is an SN1 reaction an elementary reaction/one step reaction?

The science behind fertilizers

Cleaning butyl rubber

Computational chemistry: is k a quantum number

Shouldn't MSDS data on products be publicly disclosed?

Accuracy of FP-LAPW vs Plane Wave Pseudopotential: examples

Number of electrons in pseudo wavefunction and all electron wavefunction in pseudopotentials