Comment on: “Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1Anions” by Li et al.

Manuel Díaz-Tinoco; Joseph Vincent Ortiz

doi:10.1002/cphc.201600519

Comment on: “Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1Anions” by Li et al.

ChemPhysChem ◽

10.1002/cphc.201600519 ◽

2016 ◽

Vol 17 (18) ◽

pp. 2945-2946 ◽

Cited By ~ 3

Author(s):

Manuel Díaz-Tinoco ◽

Joseph Vincent Ortiz

Keyword(s):

Ab Initio Calculations ◽

Ab Initio

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Ab initio calculations for the optical rotations of conformationally flexible molecules: A case study on six-, seven-, and eight-membered fluorinated cycloalkanol esters

Chirality ◽

10.1002/chir.10140 ◽

2002 ◽

Vol 14 (10) ◽

pp. 793-797 ◽

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Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Flexible Molecules ◽

Optical Rotations

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Evaluation of different parameterizations of temperature dependences of the line-shape parameters based on ab initio calculations: Case study for the HITRAN database

Journal of Quantitative Spectroscopy and Radiative Transfer ◽

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Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Line Shape ◽

Shape Parameters ◽

Hitran Database ◽

Temperature Dependences

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Efficiency Analysis of Intel and AMD x86_64 Architectures for Ab Initio Calculations: A Case Study of VASP

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Vyacheslav Vecher

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Efficiency Analysis

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Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1Anions

ChemPhysChem ◽

10.1002/cphc.201500517 ◽

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Vol 16 (17) ◽

pp. 3652-3659 ◽

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Miao-Miao Li ◽

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Yin-Yin Sun ◽

Jian-Li Li ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio

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Distinguishing between relaxation pathways by combining dissociative ionization pump probe spectroscopy and ab initio calculations: A case study of cytosine

The Journal of Chemical Physics ◽

10.1063/1.3586812 ◽

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Vol 134 (18) ◽

pp. 184309 ◽

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Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Dissociative Ionization ◽

Pump Probe ◽

Probe Spectroscopy

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Efficiency Analysis of Intel, AMD and Nvidia 64-Bit Hardware for Memory-Bound Problems: A Case Study of Ab Initio Calculations with VASP

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Vyacheslav Vecher

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Efficiency Analysis

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Reply to: “Comment on Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1Anions by Li et al. ”

ChemPhysChem ◽

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Vol 17 (18) ◽

pp. 2947-2947

Author(s):

Jin-Feng Li ◽

Miao-Miao Li ◽

Hongcun Bai ◽

Yin-Yin Sun ◽

Jian-Li Li ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio

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Toward spectroscopic accuracy of ab initio calculations of vibrational frequencies and related quantities: a case study of the HF molecule

Theoretical Chemistry Accounts ◽

10.1007/s002140050369 ◽

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Vol 100 (1-4) ◽

pp. 85-102 ◽

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W. Kutzelnigg

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Ab Initio Calculations ◽

Ab Initio ◽

Vibrational Frequencies

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Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Ab Initio ◽

Transition Metal Complexes ◽

Photoelectron Spectroscopy ◽

Main Group ◽

Uv Photoelectron Spectroscopy

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Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

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ZDENEK ZELINGER

Keyword(s):

Infrared Spectroscopy ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Spectroscopic Data ◽

Cyanogen Bromide ◽

Millimetre Wave ◽

Anharmonic Force

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