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نمایش تعداد 1-6 از 6

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

نوع: Journal Paper

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

سال: 2012

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

نوع: Journal Paper

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

سال: 2010

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

نوع: Journal Paper

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

ناشر: American Chemical Society

سال: 1988

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

نوع: Journal Paper

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

سال: 1997

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

نوع: Journal Paper

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

ناشر: Electrochemical Society

سال: 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

نوع: Journal Paper

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

ناشر: American Institute of Physics

سال: 1986

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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

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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