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Nonlinear time-dependent density functional theory investigation and visualization of ionizations in CO2  Effects of laser intensities and molecular orientations
Nonlinear time-dependent density functional theory investigation and visualization of ionizations in CO2  Effects of laser intensities and molecular orientations
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Nonlinear time-dependent density functional theory investigation and visualization of ionizations in CO2  Effects of laser intensities and molecular orientations

Fowe, Emmanuel Penka ; Bandrauk, André Dieter

Canadian journal of chemistry, 2010-11, Vol.88 (11), p.1186-1194 [Periódico revisado por pares]

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Nonlinear time-dependent density functional theory studies of the ionization of CO2 by ultrashort intense laser pulses1
Nonlinear time-dependent density functional theory studies of the ionization of CO2 by ultrashort intense laser pulses1
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Nonlinear time-dependent density functional theory studies of the ionization of CO2 by ultrashort intense laser pulses1

Fowe, Emmanuel Penka ; Bandrauk, André Dieter

Canadian journal of chemistry, 2009-07, Vol.87 (7), p.1081-1089 [Periódico revisado por pares]

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Nonlinear Time-Dependent Density Functional Theory Studies of Ionization in CO2 and N2 by Intense Laser Pulses and Molecular Orbital Reconstruction
Nonlinear Time-Dependent Density Functional Theory Studies of Ionization in CO2 and N2 by Intense Laser Pulses and Molecular Orbital Reconstruction
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Nonlinear Time-Dependent Density Functional Theory Studies of Ionization in CO2 and N2 by Intense Laser Pulses and Molecular Orbital Reconstruction

Penka Fowe, Emmanuel ; Bandrauk, André Dieter

High Performance Computing Systems and Applications, p.134-147 [Periódico revisado por pares]

Berlin, Heidelberg: Springer Berlin Heidelberg

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4
A NEW FORMULA FOR THE EVALUATION OF THE IONIZATION ENERGY BASED ON THE ORBITAL EXPONENTS OF THE ATOMS OF 118 ELEMENTS OF THE PERIODIC TABLE
A NEW FORMULA FOR THE EVALUATION OF THE IONIZATION ENERGY BASED ON THE ORBITAL EXPONENTS OF THE ATOMS OF 118 ELEMENTS OF THE PERIODIC TABLE
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A NEW FORMULA FOR THE EVALUATION OF THE IONIZATION ENERGY BASED ON THE ORBITAL EXPONENTS OF THE ATOMS OF 118 ELEMENTS OF THE PERIODIC TABLE

ISLAM, NAZMUL ; JANA, ARINDAM

Journal of theoretical & computational chemistry, 2010-06, Vol.9 (3), p.637-651 [Periódico revisado por pares]

World Scientific Publishing Company

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5
DFT calculations on molecular structures, HOMO–LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2‐chloridophenylacetohydroxamate complexes
DFT calculations on molecular structures, HOMO–LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2‐chloridophenylacetohydroxamate complexes
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DFT calculations on molecular structures, HOMO–LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2‐chloridophenylacetohydroxamate complexes

Choudhary, VineetKumar ; Bhatt, ArvindKumar ; Dash, Dibyajit ; Sharma, Neeraj

Journal of computational chemistry, 2019-10, Vol.40 (27), p.2354-2363 [Periódico revisado por pares]

Hoboken, USA: John Wiley & Sons, Inc

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6
Atomic scale microparameter analysis of modified natural ester molecules related to impulse discharge characteristics under electric field
Atomic scale microparameter analysis of modified natural ester molecules related to impulse discharge characteristics under electric field
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Atomic scale microparameter analysis of modified natural ester molecules related to impulse discharge characteristics under electric field

Ye, Wenyu ; Hao, Jian ; Zhang, Junyi ; Zhang, Jingwen ; Gao, Chenyu ; Liao, Ruijin

Renewable energy, 2023-12, Vol.219, p.119394, Article 119394 [Periódico revisado por pares]

Elsevier Ltd

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7
Identifying the most energetic electrons in a molecule: The highest occupied molecular orbital and the average local ionization energy
Identifying the most energetic electrons in a molecule: The highest occupied molecular orbital and the average local ionization energy
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Identifying the most energetic electrons in a molecule: The highest occupied molecular orbital and the average local ionization energy

Bulat, Felipe A. ; Murray, Jane S. ; Politzer, Peter

Computational and theoretical chemistry, 2021-05, Vol.1199, p.113192, Article 113192 [Periódico revisado por pares]

Elsevier B.V

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8
Photoelectronic mapping of the spin–orbit interaction of intense light fields
Photoelectronic mapping of the spin–orbit interaction of intense light fields
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Photoelectronic mapping of the spin–orbit interaction of intense light fields

Fang, Yiqi ; Han, Meng ; Ge, Peipei ; Guo, Zhenning ; Yu, Xiaoyang ; Deng, Yongkai ; Wu, Chengyin ; Gong, Qihuang ; Liu, Yunquan

Nature photonics, 2021-02, Vol.15 (2), p.115-120 [Periódico revisado por pares]

London: Nature Publishing Group

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9
Investigation on the electronic structures of thiamine and related compounds: Free base or salt?
Investigation on the electronic structures of thiamine and related compounds: Free base or salt?
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Investigation on the electronic structures of thiamine and related compounds: Free base or salt?

Abyar, Fatemeh ; Novak, Igor

Journal of photochemistry and photobiology. A, Chemistry., 2022-09, Vol.430, p.113988, Article 113988 [Periódico revisado por pares]

Elsevier B.V

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10
Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
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Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments

Truhlar, Donald G. ; Hiberty, Philippe C. ; Shaik, Sason ; Gordon, Mark S. ; Danovich, David

Angewandte Chemie (International ed.), 2019-09, Vol.58 (36), p.12332-12338 [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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