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Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction
Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction
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Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

Baiz, Carlos R ; Błasiak, Bartosz ; Bredenbeck, Jens ; Cho, Minhaeng ; Choi, Jun-Ho ; Corcelli, Steven A ; Dijkstra, Arend G ; Feng, Chi-Jui ; Garrett-Roe, Sean ; Ge, Nien-Hui ; Hanson-Heine, Magnus W. D ; Hirst, Jonathan D ; Jansen, Thomas L. C ; Kwac, Kijeong ; Kubarych, Kevin J ; Londergan, Casey H ; Maekawa, Hiroaki ; Reppert, Mike ; Saito, Shinji ; Roy, Santanu ; Skinner, James L ; Stock, Gerhard ; Straub, John E ; Thielges, Megan C ; Tominaga, Keisuke ; Tokmakoff, Andrei ; Torii, Hajime ; Wang, Lu ; Webb, Lauren J ; Zanni, Martin T

Chemical reviews, 2020-08, Vol.120 (15), p.7152-7218 [Periódico revisado por pares]

United States: American Chemical Society

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Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates
Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates
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Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates

Hanson-Heine, Magnus W D

The Journal of chemical physics, 2015-10, Vol.143 (16), p.164104-164104 [Periódico revisado por pares]

United States: American Institute of Physics

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3
Benchmarking DFT‑D Dispersion Corrections for Anharmonic Vibrational Frequencies and Harmonic Scaling Factors
Benchmarking DFT‑D Dispersion Corrections for Anharmonic Vibrational Frequencies and Harmonic Scaling Factors
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Benchmarking DFT‑D Dispersion Corrections for Anharmonic Vibrational Frequencies and Harmonic Scaling Factors

Hanson-Heine, Magnus W. D

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-11, Vol.123 (45), p.9800-9808 [Periódico revisado por pares]

American Chemical Society

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Simulation of Two-Dimensional Infrared Spectroscopy of Peptides Using Localized Normal Modes
Simulation of Two-Dimensional Infrared Spectroscopy of Peptides Using Localized Normal Modes
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Simulation of Two-Dimensional Infrared Spectroscopy of Peptides Using Localized Normal Modes

Hanson-Heine, Magnus W. D ; Husseini, Fouad S ; Hirst, Jonathan D ; Besley, Nicholas A

Journal of chemical theory and computation, 2016-04, Vol.12 (4), p.1905-1918 [Periódico revisado por pares]

United States: American Chemical Society

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5
Calculating excited state properties using Kohn-Sham density functional theory
Calculating excited state properties using Kohn-Sham density functional theory
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Calculating excited state properties using Kohn-Sham density functional theory

Hanson-Heine, Magnus W D ; George, Michael W ; Besley, Nicholas A

The Journal of chemical physics, 2013-02, Vol.138 (6), p.064101-064101 [Periódico revisado por pares]

United States

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6
Infrared Spectroscopy of NaCl(CH3OH) n Complexes in Helium Nanodroplets
Infrared Spectroscopy of NaCl(CH3OH) n Complexes in Helium Nanodroplets
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Infrared Spectroscopy of NaCl(CH3OH) n Complexes in Helium Nanodroplets

Sadoon, Ahmed M ; Sarma, Gautam ; Cunningham, Ethan M ; Tandy, Jon ; Hanson-Heine, Magnus W. D ; Besley, Nicholas A ; Yang, Shengfu ; Ellis, Andrew M

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-10, Vol.120 (41), p.8085-8092 [Periódico revisado por pares]

United States: American Chemical Society

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7
Investigating the Calculation of Anharmonic Vibrational Frequencies Using Force Fields Derived from Density Functional Theory
Investigating the Calculation of Anharmonic Vibrational Frequencies Using Force Fields Derived from Density Functional Theory
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Investigating the Calculation of Anharmonic Vibrational Frequencies Using Force Fields Derived from Density Functional Theory

Hanson-Heine, Magnus W. D ; George, Michael W ; Besley, Nicholas A

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-05, Vol.116 (17), p.4417-4425 [Periódico revisado por pares]

United States: American Chemical Society

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8
Reduced Two-Electron Interactions in Anharmonic Molecular Vibrational Calculations Involving Localized Normal Coordinates
Reduced Two-Electron Interactions in Anharmonic Molecular Vibrational Calculations Involving Localized Normal Coordinates
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Reduced Two-Electron Interactions in Anharmonic Molecular Vibrational Calculations Involving Localized Normal Coordinates

Hanson-Heine, Magnus W. D

Journal of chemical theory and computation, 2021-07, Vol.17 (7), p.4383-4391 [Periódico revisado por pares]

Washington: American Chemical Society

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9
Blockchain technology in quantum chemistry: A tutorial review for running simulations on a blockchain
Blockchain technology in quantum chemistry: A tutorial review for running simulations on a blockchain
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Blockchain technology in quantum chemistry: A tutorial review for running simulations on a blockchain

Hanson‐Heine, Magnus W. D. ; Ashmore, Alexander P.

International journal of quantum chemistry, 2023-02, Vol.123 (4), p.n/a [Periódico revisado por pares]

Hoboken, USA: John Wiley & Sons, Inc

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10
Dimers of acetic acid in helium nanodroplets
Dimers of acetic acid in helium nanodroplets
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Dimers of acetic acid in helium nanodroplets

Davies, Julia A ; Hanson-Heine, Magnus W. D ; Besley, Nicholas A ; Shirley, Andrew ; Trowers, James ; Yang, Shengfu ; Ellis, Andrew M

Physical chemistry chemical physics : PCCP, 2019-07, Vol.21 (26), p.1395-13958 [Periódico revisado por pares]

England: Royal Society of Chemistry

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