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Computational prediction of two-dimensional group-IV mono-chalcogenides

Applied physics letters, 2014-07, Vol.105 (4)

2014

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Materials selection for oxide-based resistive random access memories

Applied physics letters, 2014-12, Vol.105 (22)

2014

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Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

The Journal of chemical physics, 2014-02, Vol.140 (5), p.054707-054707

2014

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Behaviour of hydrogen in wide band gap oxides

Journal of applied physics, 2014-05, Vol.115 (20)

2014

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Light induced instability mechanism in amorphous InGaZn oxide semiconductors

Applied physics letters, 2014-04, Vol.104 (16)

2014

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Comprehending the occupying preference of manganese substitution in crystalline cement clinker phases: A theoretical study

Cement and concrete research, 2018-07, Vol.109, p.19-29

2018

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Reliable predictions of the net heat of combustion and the condensed phase heat of formation of organosilicon compounds

Fuel (Guildford), 2022-01, Vol.307, p.121931, Article 121931

2022

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A systematic approach to vertically excited states of ethylene using configuration interaction and coupled cluster techniques

The Journal of chemical physics, 2014-09, Vol.141 (10), p.104302-104302

2014

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Predissociation measurements of bond dissociation energies: VC, VN, and VS

The Journal of chemical physics, 2016-06, Vol.144 (23), p.234306-234306

2016

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Electronic structure and magnetism of Mn-doped GaSb for spintronic applications: A DFT study

Journal of applied physics, 2016-08, Vol.120 (5)

2016

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Computational identification of single-layer CdO for electronic and optical applications

Applied physics letters, 2013-11, Vol.103 (21)

2013

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A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability

Molecules (Basel, Switzerland), 2015-10, Vol.20 (10), p.18279-18351

Naef, Rudolf

2015

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Ferromagnetism in Gd doped ZnO nanowires: A first principles study

Journal of applied physics, 2014-12, Vol.116 (23)

2014

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Defects and properties of cadmium oxide based transparent conductors

Journal of applied physics, 2016-05, Vol.119 (18)

2016

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Vacancy complexes induce long-range ferromagnetism in GaN

Journal of applied physics, 2014-11, Vol.116 (18)

2014

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Contribution of the entropy on the thermodynamic equilibrium of vacancies in nickel

The Journal of chemical physics, 2014-03, Vol.140 (10), p.104705-104705

2014

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Electronic structure and crystal phase stability of palladium hydrides

Journal of applied physics, 2014-11, Vol.116 (17)

2014

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Energetic N-Trinitroethyl-Substituted Mono-, Di-, and Triaminotetrazoles

Chemistry : a European journal, 2013-08, Vol.19 (33), p.11000-11006

2013

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Synthesis of Thermally Stable Energetic 1,2,3-Triazole Derivatives

Chemistry : a European journal, 2013-01, Vol.19 (2), p.509-518

2013

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Assessing hafnium on hafnia as an oxygen getter

Journal of applied physics, 2014-05, Vol.115 (18)

2014

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First-principles high-pressure unreacted equation of state and heat of formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105)

The Journal of chemical physics, 2014-08, Vol.141 (6), p.064702-064702

2014

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2,4,5-Trinitroimidazole-Based Energetic Salts

Chemistry : a European journal, 2007-01, Vol.13 (14), p.3853-3860

2007

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Predicted boron-carbide compounds: a first-principles study

The Journal of chemical physics, 2014-06, Vol.140 (22), p.224704-224704

2014

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Room-temperature ferromagnetism in hydrogenated ZnO nanoparticles

Journal of applied physics, 2014-01, Vol.115 (3)

2014

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Defects responsible for abnormal n -type conductivity in Ag-excess doped PbTe thermoelectrics

Journal of applied physics, 2015-07, Vol.118 (1)

2015

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Computational prediction of two-dimensional group-IV mono-chalcogenides

Materials selection for oxide-based resistive random access memories

Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

Behaviour of hydrogen in wide band gap oxides

Light induced instability mechanism in amorphous InGaZn oxide semiconductors

Comprehending the occupying preference of manganese substitution in crystalline cement clinker phases: A theoretical study

Reliable predictions of the net heat of combustion and the condensed phase heat of formation of organosilicon compounds

A systematic approach to vertically excited states of ethylene using configuration interaction and coupled cluster techniques

Predissociation measurements of bond dissociation energies: VC, VN, and VS

Electronic structure and magnetism of Mn-doped GaSb for spintronic applications: A DFT study

Computational identification of single-layer CdO for electronic and optical applications

A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability

Ferromagnetism in Gd doped ZnO nanowires: A first principles study

Defects and properties of cadmium oxide based transparent conductors

Vacancy complexes induce long-range ferromagnetism in GaN

Contribution of the entropy on the thermodynamic equilibrium of vacancies in nickel

Electronic structure and crystal phase stability of palladium hydrides

Energetic N-Trinitroethyl-Substituted Mono-, Di-, and Triaminotetrazoles

Synthesis of Thermally Stable Energetic 1,2,3-Triazole Derivatives

Assessing hafnium on hafnia as an oxygen getter

First-principles high-pressure unreacted equation of state and heat of formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105)

2,4,5-Trinitroimidazole-Based Energetic Salts

Predicted boron-carbide compounds: a first-principles study

Room-temperature ferromagnetism in hydrogenated ZnO nanoparticles

Defects responsible for abnormal n -type conductivity in Ag-excess doped PbTe thermoelectrics

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