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UNM Department of Chemistry and Chemical Biology

Offering a broad range of disciplines, UNM Department of Chemistry and Chemical Biology specializes in Biological Chemistry, Catalysis, and Electronic and Photonic Materials.  As the flagship university for the state of New Mexico, UNM enjoys collaborative research opportunities with Sandia National Laboratory, Los Alamos National Laboratory and the Air Force Research Laboratory Space Vehicles Directorate.

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All Seminars will be held in SMLC 102 at 4:00pm unless otherwise indicated

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Hot Topics, Cutting Edge Research, and Faculty Publication

Adiabatic and nonadiabatic energy dissipation during scattering of vibrationally excited CO from Au(111)

Meng Huang, Xueyao Zhou, Yaolong Zhang, Linsen Zhou, Maite Alducin, Bin Jiang, and Hua Guo

Cover of Adiabatic and nonadiabatic energy dissipation during scattering of vibrationally excited CO from Au(111)

Abstract: A high-dimensional potential energy surface (PES) for CO interaction with the Au(111) surface is developed using a machine-learning algorithm. Including both molecular and surface coordinates, this PES enables the simulations of the recent
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Extending the Representation of Multistate Coupled Potential Energy Surfaces to Include Properties Operators Using Neural Networks: Application to the 1,21A States of Ammonia

Yafu Guan, Hua Guo, David R. Yarkony

Cover of Extending the Representation of Multistate Coupled Potential Energy Surfaces to Include Properties Operators Using Neural Networks: Application to the 1,21A States of Ammonia

  Abstract: Fitting coupled adiabatic potential energy surfaces using coupled diabatic states enables, for accessible systems, nonadiabatic dynamics to be performed with superior accuracy, when compared with that attainable using on-the-fl
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Temperature dependent absorption and emission enhancement factors in plasmon coupled semiconductor heterostructures

Chih-Feng Wang; Sadhvikas Addamane; Ganesh Balakrishnan; Claudia Rivera Lebron; Sharmin Haq; Bisweswar Patra; Kevin J. Malloy; Terefe G. Habteyes

Cover of Temperature dependent absorption and emission enhancement factors in plasmon coupled semiconductor heterostructures

Abstract Localized surface plasmon resonances can increase the quantum efficiency of photon emitters through both absorption and spontaneous emission enhancement effects. Despite extensive studies, experimental results that clearly distinguish the
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Nature Communications 10(1):1-6

Dongzheng Yang; Jing Huang; Xixi Hu; Daiqian Xie Hua Guo;

Cover of Nature Communications 10(1):1-6

  Abstract: Practical calculations of molecular inelastic collisions are computationally very demanding. Here the authors use full-dimensional quantum scattering to calculate energy transfer probabilities in inelastic collision between hydrogen
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Possible Link between Biological and Industrial Nitrogen Fixation

Martin Kirk

Cover of Possible Link between Biological and Industrial Nitrogen Fixation

Nitrogen is an essential nutrient that is abundantly available in Earth's atmosphere in the form of the dinitrogen (N2) molecule, which cannot be assimilated by plants and animals. Instead, living things must obtain their nitrogen through "nitrogen
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Journal of the American Chemical Society 09/2018; 140(44)

Benjamin W. SteinJing YangRegina MteiNicholas J. WiebelhausDominic K. KersiJesse LePluartDennis L. LichtenbergerJohn H. Enemark*Martin L. Kirk*

Cover of Journal of the American Chemical Society 09/2018; 140(44)

Abstract: A multitechnique spectroscopic and theoretical study of the Cp2M(benzenedithiolato) (M = Ti, V, Mo; Cp = η5-C5H5) series provides deep insight into dithiolene electronic structure contributions to electron transfer reactivity and
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