skip to main content
Show Results with:

Results 1 - 10 of 27  for Everything in this catalogue

results 1 2 3 next page
Refined by: author: Truhlar, Donald G. remove
Result Number Material Type Add to My Shelf Action Record Details and Options
1
Material Type:
Article
Add to My workspace

Effect of energy dependence of the density of states on pressure-dependent rate constants

Bao, Junwei Lucas; Truhlar, Donald G.

Physical chemistry chemical physics. Volume 20:Issue 48 (2018); pp 30475-30479 -- Royal Society of Chemistry

Online access

2
Material Type:
Article
Add to My workspace

Reaction of SO2 with OH in the atmosphere

Long, Bo

Physical chemistry chemical physics. Volume 19:Issue 11 (2017); pp 8091-8100 -- Royal Society of Chemistry

Online access

3
Material Type:
Article
Add to My workspace

Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN

Bao, Jie J.

Physical chemistry chemical physics. Volume 19:Issue 44 (2017); pp 30089-30096 -- Royal Society of Chemistry

Online access

4
Material Type:
Article
Add to My workspace

Extrapolation of high-order correlation energies: the WMS model

Zhao, Yan

Physical chemistry chemical physics. Volume 20:Issue 43 (2018); pp 27375-27384 -- Royal Society of Chemistry

Online access

5
Material Type:
Article
Add to My workspace

Excitation spectra of retinal by multiconfiguration pair-density functional theory

Dong, Sijia S.

Physical chemistry chemical physics. Volume 20:Issue 10 (2018); pp 7265-7276 -- Royal Society of Chemistry

Online access

6
Material Type:
Article
Add to My workspace

Correction: Electronic spectrum and characterization of diabatic potential energy surfaces for thiophenol

Zhang, Linyao; Truhlar, Donald G.; Sun, Shaozeng

Physical chemistry chemical physics. Volume 21:Issue 15 (2019); pp 8179-8179 -- Royal Society of Chemistry

Online access

7
Material Type:
Article
Add to My workspace

Effect of energy dependence of the density of states on pressure-dependent rate constants

Bao, Junwei Lucas; Truhlar, Donald G.

Physical chemistry chemical physics. Volume 20:Issue 48 (2018); pp 30475-30479 -- Royal Society of Chemistry

Online access

8
Material Type:
Article
Add to My workspace

Silane-initiated nucleation in chemically active plasmas: validation of density functionals, mechanisms, and pressure-dependent variational transition state calculations

Bao, Junwei Lucas

Physical chemistry chemical physics. Volume 18:Issue 15 (2016); pp 10097-10108 -- Royal Society of Chemistry

Online access

9
Material Type:
Article
Add to My workspace

State-interaction pair density functional theory for locally avoided crossings of potential energy surfaces in methylamineElectronic supplementary information (ESI) available: It contains absolute energies in hartrees of calculations, sample input files, and active orbitals (including geometry and guess orbitals). See DOI: 10.1039/c9cp02240f

Zhou, Chen; Gagliardi, Laura; Truhlar, Donald G.

Physical chemistry chemical physics. Volume 21:Issue 25 (2019); pp 13486-13493 -- Royal Society of Chemistry

Online access

10
Material Type:
Article
Add to My workspace

Path-dependent variational effects and multidimensional tunneling in multi-path variational transition state theory: rate constants calculated for the reactions of HO2 with tert-butanol by including all 46 paths for abstraction at C and all six paths for abstraction at O

Bao, Junwei Lucas

Physical chemistry chemical physics. Volume 18:Issue 2 (2016); pp 1032-1041 -- Royal Society of Chemistry

Online access

Results 1 - 10 of 27  for Everything in this catalogue

results 1 2 3 next page

Searching Remote Databases, Please Wait