R. Ross

发表

Ab initio relativistic effective potentials with spin–orbit operators. IV. Cs through Rn

Walter C. Ermler, W. C. Ermler, P. A. Christiansen, 1985 .

Abinitio relativistic effective potentials with spinorbit operators. III. Rb through Xe

W. C. Ermler, P. A. Christiansen, J. Powers, 1987 .

Ab initio relativistic effective potentials with spin‐orbit operators. VI. Fr through Pu

W. C. Ermler, P. A. Christiansen, W. Ermler, 1991 .

Ab initio models for Be81 and Be87 metal clusters

W. C. Ermler, W. Ermler, C. W. Kern, 1990 .

Ab initio calculations including relativistic effects for Ag2, Au2, AgAu, AgH, and AuH

W. C. Ermler, W. Ermler, R. Ross, 1985 .

LOCAL DENSITY FUNCTIONAL STUDIES OF ELECTRONIC STRUCTURE OF BE135

A. Freeman, C. W. Kern, R. Ross, 1995 .

Ab initio calculations of spin-orbit coupling in the Group 13 and 17 atoms

W. C. Ermler, P. A. Christiansen, R. Ross, 1986 .

Abinitio relativistic effective potentials with spin‐orbit operators. II. K through Kr

Walter C. Ermler, Luis F. Pacios, W. C. Ermler, 1986 .

Polymerization molecular dynamics simulations. I. Cross-linked atomistic models for poly(methacrylate) networks

R. Ross, D. C. Doherty, B. Holmes, 1998 .

Pressure dependence of the hildebrand solubility parameter and the internal pressure : Monte carlo simulations for external pressures up to 300 MPa

N. Rai, Nathan E. Schultz, J. I. Siepmann, 2007 .

Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors

W. Goddard, M. Blanco, M. Belmares, 2004, J. Comput. Chem..

Chemical Applications of Density-Functional Theory

Brian B. Laird, Tom Ziegler, B. Laird, 1996 .

Prediction of Hildebrand solubility parameters of acrylate and methacrylate monomers and their mixtures by molecular simulation

Katie A. Maerzke, Nathan E. Schultz, J. I. Siepmann, 2010 .

Overview of Multiscale Simulation Methods for Materials

R. Ross, S. Mohanty, 2007 .

1 OVERVIEW OF MULTISCALE SIMULATION METHODS FOR MATERIALS

R. Ross, S. Mohanty, 2007 .

Spin-Orbit Coupling and Other Relativistic Effects in Atoms and Molecules

W. C. Ermler, P. A. Christiansen, R. Ross, 1988 .

TraPPE-UA force field for acrylates and Monte Carlo simulations for their mixtures with alkanes and alcohols.

Katie A. Maerzke, Nathan E. Schultz, J. I. Siepmann, 2009, The journal of physical chemistry. B.

AB initio calculations on electronic states of be51 and be57 clusters

W. C. Ermler, C. W. Kern, R. Ross, 1987 .

Molecular insights for the optimization of solvent‐based selective extraction of ethanol from fermentation broths

Samuel J. Keasler, Nathan E. Schultz, J. I. Siepmann, 2013 .

The Source of Helicity in Perfluorinated N-Alkanes

W. Goddard, S. Jang, M. Blanco, 2003 .

Application of the TraPPE Force Field for Predicting the Hildebrand Solubility Parameters of Organic Solvents and Monomer Units.

A. Wagner, N. Rai, J. I. Siepmann, 2008, Journal of chemical theory and computation.

The Ninth Industrial Fluid Properties Simulation Challenge.

Daniel W. Siderius, Raymond D. Mountain, Vincent K. Shen, 2004, Fluid phase equilibria.

The second industrial fluid properties simulation challenge

J. D. Olson, D. Friend, P. Kolář, 2005 .

The Ninth Industrial Fluid Properties Simulation Challenge.

V. K. Shen, D. Siderius, R. Mountain, 2004, Fluid phase equilibria.

Density-Functional Methods in Chemistry: An Overview

Brian B. Laird, Tom Ziegler, B. Laird, 1996 .

Adsorption, X-ray diffraction, photoelectron, and atomic emission spectroscopy benchmark studies for the eighth industrial fluid properties simulation challenge

Joshua D. Moore, J. Brennan, D. Siderius, 2016, Adsorption science & technology : interface science for advanced materials & technologies.

Perfluorohexane adsorption in BCR-704 Faujasite zeolite benchmark studies for the seventh industrial fluid properties simulation challenge

Joshua D. Moore, J. Brennan, D. Siderius, 2014 .

The Fifth Industrial Fluid Properties Simulation Challenge | NIST

J. D. Olson, D. Friend, J. Brennan, 2007 .