Online Cooperative Learning in Physical Chemistry

The use of cooperative learning in an online setting is examined using the online segment of a recently offered physical chemistry course as an example. The nature and function of classical, face-to-face cooperative learning are outlined. The online course segment is outlined and is analyzed with regard to the criteria for classical cooperative learning. Though this specific course segment functioned poorly when taught as online cooperative learning, it is possible to structure online courses to take advantage of the strengths of cooperative learning. The possible structure and function of an online cooperative learning community are explored, concluding with a specific model for online cooperative learning.     

EFFECT OF FORESTLAND AVAILABILITY BY OWNERSHIP TYPE ON LICENSE SALES FOR HUNTING: A SPATIAL APPROACH

Abstract The effect of forestland availability under different ownership types on license sales for hunting in nine Southeastern states is empirically evaluated. An equation that represents license sales for hunting is estimated assuming the sale of hunting licenses in a particular county is related to the characteristics of that county as well as the characteristics and license sales for hunting in its neighboring counties. The positive effects of the amounts of both national and private forestland on license sales reaffirm the potential benefits of maintaining forestland to stimulate hunting. The positive spillover effect of national forests on license sales for hunting suggests that availability and close access to hunting in national forests within neighboring counties are important in supporting hunting license sales in a county. This study contributes to the general understanding of the drivers affecting individuals’ decisions to use natural resources for hunting. Advances in natural resource modeling, specifically the spatial process model and geospatial data used in this research, make it possible to examine the interactions between the spatial dynamics and ownership attributes of the natural system, allowing policy makers to design natural resource management practices that respond to a system characterized by these interactions.     

A DLM/FD/IB Method for Simulating Cell/Cell and Cell/Particle Interaction in Microchannels

A spring model is used to simulate the skeleton structure of the red blood cell （RBC） membrane and to study the red blood cell （RBC） rheology in Poiseuille flow with an immersed boundary method. The lateral migration properties of many cells in Poiseuille flow have been investigated. The authors also combine the above methodology with a distributed Lagrange multiplier/fictitious domain method to simulate the interaction of cells and neutrally buoyant particles in a microchannel for studying the margination of particles.     

Analytical gradients of a state average MCSCF state and a state average diagnostic

An efficient method for calculating the Lagrange multipliers and the analytical gradients of one state included in a state average MCSCF wave function is presented. It is demonstrated that the state average energy of an ‘equal-weight’ scheme is invariant to rotations within the state average subspace and that the corresponding rotations should be eliminated from the Lagrangian equations. Finally, a diagnostic is presented, which gauges the energy difference between a state defined by a state average calculation and the corresponding fully variational multi-configurational SCF state.     

On the Numerical Solution to a Nonlinear Wave Equation Associated with the First Painlev′e Equation: an Operator-Splitting Approach

The main goal of this article is to discuss the numerical solution to a nonlinear wave equation associated with the first of the celebrated Painlevé transcendent ordinary differential equations. In order to solve numerically the above equation, whose solutions blow up in finite time, the authors advocate a numerical methodology based on the Strang’s symmetrized operator-splitting scheme. With this approach, one can decouple nonlinearity and differential operators, leading to the alternate solution at every time step of the equation as follows: (i) The first Painlevé ordinary differential equation, (ii) a linear wave equation with a constant coefficient. Assuming that the space dimension is two, the authors consider a fully discrete variant of the above scheme, where the space-time discretization of the linear wave equation sub-steps is achieved via a Galerkin/finite element space approximation combined with a second order accurate centered time discretization scheme. To handle the nonlinear sub-steps, a second order accurate centered explicit time discretization scheme with adaptively variable time step is used, in order to follow accurately the fast dynamic of the solution before it blows up. The results of numerical experiments are presented for different coefficients and boundary conditions. They show that the above methodology is robust and describes fairly accurately the evolution of a rather “violent” phenomenon.     

Advances in surface plasmon resonance-based high throughput biochips

This article reviews our recent advances in surface plasmon resonance (SPR) based biochips. It includes four issues, which are the preparation and characterization of high quality gold film, the preparation and characterization of self-assembled monolayer (SAM), dynamics of DNA adsorption on SAMs, and SPRbased microscopies. Numerous topics related to SPR, such as, the modeling of SPR by transmission matrix, effective medium theory, applications of SPR in biology, and SPR-based novel microscopies, are discussed. A novel electrochemical technique, which is extremely useful for the preparation and characterization of high quality SAMs, is also discussed.     

The Purdue Visualization of Rotations Test

This paper probes the relationship between the psychometric construct known as spatial ability and students performance in introductory chemistry courses. It examines some of the early literature on the evolution of the concept of spatial ability, reviews the results of research on the relationship between success (or failure) in introductory chemistry courses and students spatial ability, and describes a spatial ability test known as The Purdue Visualization of Rotations (ROT) test that has been shown to be among the spatial ability tests whose results are least likely to be complicated by analytical processing.     

Properties of a Semi-discrete Approximation to the Beam Equation

The solution of the equation w(x)u_tt+[p(x)u_xx]_xx = 0, 0 < x < L, t > 0, where it is assumed that w and p are positive on the interval[O, L], is approximated by using the method of straight lines.The resulting approximation is a linear system of differentialequations with coefficient matrix S. The matrix S is studiedunder very general boundary conditions which result in a conservativesystem. In all cases the matrix S is either an oscillation matrixor possesses nearly all the properties of an oscillation matrix.     

A theoretical study of the 21Ag ← 11Ag two-photon transition and its vibronic band in trans-stilbene

The two-photon spectrum of the 2¹A_g ← 1¹A_g transition in trans-stilbene has been calculated at the complete active space self-consistent field (CASSCF) level of theory. Energies were obtained at the complete active space second-order perturbation (CASPT2) level of theory, while the geometries of both the initial and final states were optimized at the CASSCF level. The energy and the geometry optimizations were performed using an active space of 14 electrons in 14 active π orbitals. The vibrational frequencies of both states and the two-photon transition (TPT) cross-section were calculated with a smaller active space where the two lowest π orbitals were kept inactive. A newly implemented algorithm, in the quantum chemical package Molcas was used to determine the two-photon transition intensity. This method requires only the linear response of the CASSCF wavefunction. Furthermore, the vibronic structure of this TPT was studied. The Franck-Condon factors were obtained by calculating the overlap between the vibrational states involved, which were determined from the force fields of both the initial and final states, at the CASSCF level of theory. The results are in agreement with experiment.