Carter

More precisely, the rate of ozone formation depends closely on the chemical nature of the hydrocarbons present in the atmosphere. A reactivity scale has been proposed by Lowi and Carter (1990) and is largely utilized today in ozone prediction models. Thus the values indicated in Table 5.26 express the potential ozone formation as O3 formed per gram of organic material initially present. The most reactive compounds are light olefins, cycloparaffins, substituted aromatic hydrocarbons notably the xylenes, formaldehyde and acetaldehyde. Inversely, normal or substituted paraffins. 

Lowi, A. and W.P.L. Carter (1990), A method lor evaluating the atmosphere ozone impact of actual vehicle emissions . SAE paper No. 90-0710, International congress and exposition, Detroit, MI. 

Williams D B and Carter C B 1996 Transmission Electron Microscopy, A Textbook for Material Science (New York Plenum)... 

Zhao Y, Barvosa-Carter W, Theiss S D, Mitha S, Aziz M J and Schiferl D 1998 Pressure measurement at high temperature using ten Sm YAG fluorescence peaks J. Appi. Phys. 84 4049... 

Carter E 2000 webpage http //www.chem. ucia. edu/dept/FacuItv/carter. htm I... 

For an overview of Professor Carter s group s work using pseudospectral methods, see ... 

Martinez T J and Carter E A 1995 Pseudospectral methods applied to the electron correlation problem Modem Electronic Structure Theory yo 2, ed D R Yarkony (Singapore World Scientific) pp 1132-65... 

Wang Y A and Carter E A 2000 Orbital-free kinetic-energy density functional theory Theoretical Methods in Condensed Phase Chemistry (Progress in Theoretical Chemistry and Physics Series) ed S D Schwartz (Boston Kluwer) pp 117-84... 

Wang Y A, Govind N and Carter E A 1998 Orbital-free kinetic energy functionals for the nearly-free electron gas Phys. Rev. B 58 13 465... 

Watson S, Jesson B J, Carter E A and Madden P A 1998 Ab initio pseudopotentials for orbital-free density functional Europhys. Lett. 41 37-42... 

Watson S C and Carter E A 2000 Linear-scaling parallel algorithms for the first principles treatment of metals Comp. Pbys. Common. 128 67-92... 

Govind N, Wang Y A, da Siiva A J R and Carter E A 1998 Accurate ah initio energetics of extended systems via expiicit correiation embedded in a density functionai environment Chem. Phys. Lett. 295 129... 

Govind N, Wang Y A and Carter E A 1999 Eiectronic structure caicuiations by first principies density-based embedding of expiicitiy correiated systems J. Chem. Phys. 110 7677... 

Carter E A, Ciccotti G, Hynes J T and Kapral R 1989 Constrained reaction coordinate dynamics for the simulation of rare events Chem. Phys. Lett. 156 472-7... 

Carter S and Bowman J M 1998 The adiabatic rotation approximation of rovibrational energies of manymode systems description and tests of the method J. Chem. Phys. 108 4397... 

Both of die above methods can be considered as approximations to the Fukui reaction path, discussed later in this article. The maxinmm of the Fukui reaction path also yields the transition state, although usually at significantly more expense than coordinate driving or the synclironous transit method. A more modem development of these ideas has been given by Ionova and Carter [68]. 

Ionova I V and Carter E A 1995 Crbital-based direct inversion in the iterative subspace for the generalized valence bond method J. Chem. Phys. 102 1251... 

Hartke B and Carter E A 1992 Spin eigenstate-dependent Hartree-Fock molecular dynamics Chem. Phys. Lett. 189 358... 

Weakliem P C, Wu C J and Carter E A 1992 First-principles-derived dynamics of a surface reaction fluorine etching of Si(IOO) Phys. Rev. Lett. 69 200-3... 

Weakliem P C and Carter E A 1993 Surface chemical reactions studied via ab /n/f/o-derived molecular dynamics simulations fluorine etching of Si(IOO) J. Chem Phys. 98 737-45... 

Carter L E, Khodabandeh S, Weakliem P C and Carter E A 1994 First-principles-derived dynamics of Fj reactive scattering on Si(100)-2 x 1 j. Chem Phys. 100 2277-88... 

Carter L E and Carter E A 1995 Fj reaction dynamics with defective Si(IOO) defect-insensitive surface chemistry Surf. Sci. 323 39-50... 

Carter L E and Carter E A1996 Ab initio-derived dynamics for Fj reactions with partially fluorinated Si(IOO) surfaces translational activation as a possible etching tool J. Phys. Chem. 100 873-87... 

Radeke M R and Carter E A 1997 Ab initio dynamics of surface chemistry Ann. Rev. Phys. Chem. 48 243-70... 

An alternative form of exact nonrelativistic vibration-rotation Hamiltonian for triatomic molecules (ABC) is that used by Handy, Carter (HC), and... 

The most consequent and the most straightforwaid realization of such a concept has been carried out by Handy, Carter, and Rosmus (HCR) and their coworkers. The final form of the vibration-rotation Hamiltonian and the handling of the corresponding Schrddinger equation in the absence of the vibronic... 

---