scholarly journals Fragmentation pattern of amides by EI and HRESI: study of protonation sites using DFT-3LYP data

RSC Advances ◽  
2018 ◽  
Vol 8 (38) ◽  
pp. 21407-21413 ◽  
Author(s):  
H. H. Fokoue ◽  
J. V. Marques ◽  
M. V. Correia ◽  
L. F. Yamaguchi ◽  
X. Qu ◽  
...  
Keyword(s):  
Computational Studies ◽  
Fragmentation Pattern

The N–CO cleavage of α,β-unsaturated piperamides under EI and ESI is supported by computational studies.

scholarly journals Multiphoton Ionization/Fragmentation of SO2: Experimental and Computational Studies

1985 ◽  
Vol 5 (5) ◽  
pp. 239-255 ◽  
Author(s):  
M. Asscher ◽  
W. L. Guthrie ◽  
T.-H. Lin ◽  
N. Ohmichi ◽  
J. Silberstein ◽  
...  
Keyword(s):  
Mass Spectrum ◽  
Laser Power ◽  
Laser Intensity ◽  
Multiphoton Ionization ◽  
Branching Ratio ◽  
Computational Studies ◽  
Fragmentation Pattern ◽  
Power Curve ◽  
Parent Molecule ◽  
Ionic Fragmentation

The ionic fragmentation pattern of SO2 was measured as a function of laser power at the 223–220 nm wavelength range. The time of flight (TOF) mass spectrum shows essentially no parent ions. The principal ions observed were SO+ and mass 32. The fraction of S+ ions increases monotonically with increasing laser power while the fraction of SO+ which dominates at low powers reaches a maximum and falls below that of S+. The fraction of both ions changes nonlinearly with the laser intensity and tends to level off at the higher powers. The results are found consistent with a statistical (maximum entropy) computation of the fragmentation pattern. By comparing the observed (S+ + O2+)/SO+ branching ratio vs. laser power with the computed branching ratio vs. energy uptake per parent molecule one obtains an energy uptake vs. laser power curve. The results are discussed in terms of the possible dissociation/ionization pathways.

Computational Studies of Human Motion: Part 1, Tracking and Motion Synthesis

2005 ◽  
Author(s):  
David A. Forsyth ◽  
Okan Arikan ◽  
Leslie Ikemoto ◽  
James O'Brien ◽  
Deva Ramanan
Keyword(s):  
Human Motion ◽  
Computational Studies ◽  
Motion Synthesis

Computational studies of hard-body and 3-D effects in plume flows

1989 ◽  
Author(s):  
ETHIRAJ VENKATAPATHY ◽  
WILLIAM FEIEREISEN ◽  
SHIGERU OBAYASHI
Keyword(s):  
Computational Studies ◽  
Plume Flows

Computational Studies on Acetylcholinesterase: Results from a FY 2002 DoD Challenge Project

2003 ◽  
Author(s):  
J. B. Wright ◽  
Margaret Hurley ◽  
Gerald Lushington ◽  
William R. White
Keyword(s):  
Computational Studies
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