Zobrazeno 1 - 10
of 10
pro vyhledávání: '"John D. Farnum"'
Autor:
Alex Saad-Falcon, Kenneth W. Allen, Ryan S. Westafer, Douglas R. Denison, William D. Hunty, Jonathan Andreasen, John D. Farnum
Publikováno v:
NAECON 2018 - IEEE National Aerospace and Electronics Conference.
In this work, we explore a novel approach to quantify and predict events related to bimolecular recognition. The theoretical framework leverages mathematics from radar signal processing and communication networks in the form of a matched filter to de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3cf08afdf5e34eead3498b4cc60a590b
https://doi.org/10.1109/naecon.2018.8556724
https://doi.org/10.1109/naecon.2018.8556724
Autor:
Sridhar A. Lahankar, Joel M. Bowman, Frank Suits, John D. Farnum, Arthur G. Suits, Vasiliy Goncharov
Publikováno v:
Chemical Physics. 347:288-299
Recently we reported a novel “roaming” dissociation pathway of formaldehyde in which one of the H atoms strays far from the minimum energy reaction path, explores a broad region of the potential energy surface, then abstracts the remaining H atom
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac63d416dc50ecc4aa0756bf5beefe8c
https://doi.org/10.1016/j.chemphys.2007.11.007
https://doi.org/10.1016/j.chemphys.2007.11.007
Autor:
Joel M. Bowman, John D. Farnum
Publikováno v:
The Journal of Physical Chemistry A. 111:10376-10380
We investigate the dependence of the branching ratio of formaldehyde dissociation to molecular and radical products on the total energy and angular momentum and the HCO rotational state distributions by using a combination of transition state/Rice-Ra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0fc97e820a97cb5d26136405acacc47f
https://doi.org/10.1021/jp072617+
https://doi.org/10.1021/jp072617+
Autor:
John D. Farnum, David A. Mazziotti
Publikováno v:
Chemical Physics Letters. 416:142-146
In molecular optimal control theory a laser pulse is designed to drive a molecular system to a target value of an observable. To be feasible in the laboratory, the optimal electric field must have a finite amplitude. Current algorithms limit the maxi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac7989b0497def1bc868fa81b1542aad
https://doi.org/10.1016/j.cplett.2005.09.062
https://doi.org/10.1016/j.cplett.2005.09.062
Autor:
John D. Farnum, David A. Mazziotti
Publikováno v:
The Journal of Chemical Physics. 120:5962-5967
Spectral difference methods represent the real-space Hamiltonian of a quantum system as a banded matrix which possesses the accuracy of the discrete variable representation (DVR) and the efficiency of finite differences. When applied to time-dependen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e649eb236785e029ed802dc4ab1b05db
https://doi.org/10.1063/1.1665930
https://doi.org/10.1063/1.1665930
Publikováno v:
The journal of physical chemistry. A. 113(52)
State-resolved photodissociation dynamics of formaldehyde-d(2), i.e., D(2)CO, at energies slightly above the deuterium atom elimination channel have been studied both experimentally and theoretically. The results showed a clear bimodal distribution o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f823054a1943f801343edd6a7f1253c5
https://pubmed.ncbi.nlm.nih.gov/19775138
https://pubmed.ncbi.nlm.nih.gov/19775138
Autor:
John D, Farnum, Joel M, Bowman
Publikováno v:
The journal of physical chemistry. A. 111(41)
We investigate the dependence of the branching ratio of formaldehyde dissociation to molecular and radical products on the total energy and angular momentum and the HCO rotational state distributions by using a combination of transition state/Rice-Ra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0307fcdc108430108f4f76649c1f9f3d
https://pubmed.ncbi.nlm.nih.gov/17629255
https://pubmed.ncbi.nlm.nih.gov/17629255
Publikováno v:
The Journal of chemical physics. 124(23)
Understanding and modeling the interaction between light and matter is essential to the theory of optical molecular control. While the effect of the electric field on a molecule’s electronic structure is often not included in control theory, it can
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30d3175a5347f8be2d6d241044aee14b
https://pubmed.ncbi.nlm.nih.gov/16821903
https://pubmed.ncbi.nlm.nih.gov/16821903
Publikováno v:
The Journal of Chemical Physics. 126:134305
Quasiclassical trajectory calculations are reported to investigate the effects of rotational excitation of formaldehyde on the branching ratios of the fragmentation products, H2+CO and H+HCO. The results of tens of thousands of trajectories show that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4f842b1d06a59c85b2ee34e151161d9
https://doi.org/10.1063/1.2715586
https://doi.org/10.1063/1.2715586
Autor:
Steven D. Chambreau, Sridhar A. Lahankar, Xiubin Zhang, Joel M. Bowman, Frank Suits, John D. Farnum, Arthur G. Suits, David Townsend
Publikováno v:
The Journal of Chemical Physics. 125:044303
We present a detailed experimental and theoretical investigation of formaldehyde photodissociation to H(2) and CO following excitation to the 2(1)4(1) and 2(1)4(3) transitions in S(1). The CO velocity distributions were obtained using dc slice imagin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f8f12a1db224333acc28ad1e79cca03
https://doi.org/10.1063/1.2202241
https://doi.org/10.1063/1.2202241