User Aug

Aug

Member for 8 years, 1 month
Last seen more than a month ago

Network profile

11 Bookmarks

Score Activity Newest Views Added

38 votes

4 answers

5k views

DFT Functional Selection Criteria

computational-chemistry density-functional-theory

Aug

2,111

asked Mar 14, 2015 at 3:05

28 votes

4 answers

1k views

How do Quantum Software Packages Work?

Aug

2,111

asked Sep 23, 2014 at 0:49

18 votes

1 answer

677 views

What is the relation between surface tension and initial molecular harmonic?

thermodynamics quantum-chemistry theoretical-chemistry

Aug

2,111

asked Apr 22, 2015 at 1:58

16 votes

3 answers

2k views

Are there any full worked examples of DFT calculations?

computational-chemistry theoretical-chemistry quantum-chemistry density-functional-theory

Aug

2,111

asked Jul 25, 2014 at 23:52

14 votes

3 answers

639 views

How to define custom force in quantum chemistry packages?

computational-chemistry theoretical-chemistry density-functional-theory

Aug

2,111

asked Apr 18, 2015 at 15:02

12 votes

2 answers

693 views

Why Acetone does not behave like its computational values?

quantum-chemistry computational-chemistry spectroscopy spectrophotometry

Aug

2,111

asked May 11, 2015 at 23:40

9 votes

2 answers

2k views

How to interpret orbital transition in TDDFT?

quantum-chemistry computational-chemistry spectroscopy td-dft

Aug

2,111

asked May 13, 2015 at 6:01

7 votes

1 answer

690 views

UV/Vis spectroscopy transition reference

organic-chemistry spectroscopy reference-request spectrophotometry

Aug

2,111

asked Apr 28, 2015 at 0:39

5 votes

0 answers

66 views

Reference request for the number of solvents around a solute [closed]

solubility solutions reference-request solvents

Aug

2,111

asked May 11, 2015 at 18:53

3 votes

1 answer

759 views

How to interpret TD-DFT results for finding λmax and amplitude

quantum-chemistry computational-chemistry td-dft

Aug

2,111

asked May 8, 2015 at 12:34

1 vote

2 answers

326 views

Cohesive Energy Density table request

aqueous-solution solubility solutions reference-request equation-of-state

Aug

2,111

asked Apr 17, 2015 at 6:01

Stack Exchange Network

current community

your communities

more stack exchange communities

11 Bookmarks

DFT Functional Selection Criteria

How do Quantum Software Packages Work?

What is the relation between surface tension and initial molecular harmonic?

Are there any full worked examples of DFT calculations?

How to define custom force in quantum chemistry packages?

Why Acetone does not behave like its computational values?

How to interpret orbital transition in TDDFT?

UV/Vis spectroscopy transition reference

Reference request for the number of solvents around a solute [closed]

How to interpret TD-DFT results for finding λmax and amplitude

Cohesive Energy Density table request