Search

Now showing items 1-6 of 6

Computational screening of dopants for photocatalytic two-electron reduction of CO2 on anatase (101) surfaces

Type: Journal Paper

Author : He, Haiying; Zapol, Peter; Curtiss, Larry A.

Year: 2012

Request PDF

A Theoretical Study of CO₂ Anions on Anatase (101) Surface

Type: Journal Paper

Author : He, Haiying; Zapol, Peter; Curtiss, Larry A.

Year: 2010

Request PDF

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

Type: Journal Paper

Author : Reed, Alan E.; Curtiss, Larry A.; Weinhold, Frank

Publisher: American Chemical Society

Year: 1988

Request PDF

Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

Type: Journal Paper

Author : Curtiss, Larry A.; Raghavachari, Krishnan; Redfern, Paul C.; Pople, John A.

Year: 1997

Request PDF

Asymmetric Form of Redox Shuttle Based on 1,4-Di-tert-butyl-2,5-dimethoxybenzene

Type: Journal Paper

Author : Weng,Wei; Tao,Yunting; Zhang,Zhengcheng; Redfern,Paul C.; Curtiss,Larry A.; Amine,Khalil

Publisher: Electrochemical Society

Year: 2013

Natural bond orbital analysis of molecular interactions: Theoretical studies of binary complexes of HF, H2O, NH3, N2, O2, F2, CO, and CO2 with HF, H2O, and NH3

Type: Journal Paper

Author : Reed, Alan E.; Weinhold, Frank; Curtiss, Larry A.; Pochatko, David J.

Publisher: American Institute of Physics

Year: 1986

Request PDF

Search

Computational screening of dopants for photocatalytic two-electron reduction of CO2 on anatase (101) surfaces

A Theoretical Study of CO₂ Anions on Anatase (101) Surface

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

Asymmetric Form of Redox Shuttle Based on 1,4-Di-tert-butyl-2,5-dimethoxybenzene

Natural bond orbital analysis of molecular interactions: Theoretical studies of binary complexes of HF, H2O, NH3, N2, O2, F2, CO, and CO2 with HF, H2O, and NH3

Author

Publisher

Year

Type

Language (ISO)

Content Type

Publication Title

Search

Filters

Computational screening of dopants for photocatalytic two-electron reduction of CO2 on anatase (101) surfaces

A Theoretical Study of CO2 Anions on Anatase (101) Surface

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

Asymmetric Form of Redox Shuttle Based on 1,4-Di-tert-butyl-2,5-dimethoxybenzene

Natural bond orbital analysis of molecular interactions: Theoretical studies of binary complexes of HF, H2O, NH3, N2, O2, F2, CO, and CO2 with HF, H2O, and NH3

A Theoretical Study of CO₂ Anions on Anatase (101) Surface