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- Martin Schoen, Charles L Rhykerd, Dennis J Diestler, John H. Cushman
- Science
- 1989

Monte Carlo and molecular dynamics methods have been used to study the shearing behavior of an atomic fluid between two plane-parallel solid surfaces having the face-centered cubic (100) structure. Aâ€¦ (More)

- Dennis J Diestler, Z-B Wu, Xiao Cheng Zeng
- The Journal of chemical physics
- 2004

Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on theâ€¦ (More)

- Huanbin Zhou, Ran-ran Feng, Dennis J Diestler, Xiao Cheng Zeng
- The Journal of chemical physics
- 2005

A new treatment of quasistatic (reversible) multiscale processes in heterogeneous materials at nonzero temperature is presented. The system is coarse grained by means of a finite-element mesh. Theâ€¦ (More)

- Dennis J Diestler, Ernst Walter Knapp
- Physical review letters
- 2008

Multivalent ligands can form ligand-receptor complexes that are orders of magnitude more stable than their monovalent counterparts. A theory of this "enhancement effect" based on fundamentalâ€¦ (More)

- Dennis J Diestler, Anatole Kenfack, J Manz, Beate Paulus, J F PÃ©rez-Torres, Vincent Pohl
- The journal of physical chemistry. A
- 2013

A molecule in the electronic ground state described in the Bornâ€“Oppenheimer approximation (BOA) by the wave function Î¨BO = Î¦0Ï‡0 (where Î¦0 is the time-independent electronic energy eigenfunction andâ€¦ (More)

- Z-B Wu, Dennis J Diestler, Ran-ran Feng, Xiao Cheng Zeng
- The Journal of chemical physics
- 2004

A technique that melds an atomistic description of the interfacial region with a coarse-grained description of the far regions of the solid substrates is presented and applied to a two-dimensionalâ€¦ (More)

- Dennis J Diestler, Martin Schoen, John H. Cushman
- Science
- 1993

Thin films of monatomic fluid constrained between two plane-parallel structured solid walls have been modeled by Monte Carlo simulation under conditions (fixed temperature, chemical potential, andâ€¦ (More)

- Jorge Numata, Alok Juneja, Dennis J Diestler, Ernst-Walter Knapp
- The journal of physical chemistry. B
- 2012

Experiments show that a ligand-receptor complex formed by binding a bivalent ligand (D) in which the two ligating units are joined covalently by a flexible polymeric spacer (S) can be orders ofâ€¦ (More)

- Dennis J Diestler, Gunter Hermann, J Manz
- The journal of physical chemistry. A
- 2017

In an elementary variational treatment of the electronic structure of H2+, Eyring, Walter, and Kimball (EWK) serendipitously discovered charge migration (CM) in 1944. Using an analytic expression forâ€¦ (More)

- Timm Bredtmann, Dennis J Diestler, +6 authors Hua-Jin Zhai
- Physical chemistry chemical physics : PCCP
- 2015

An elementary molecular process can be characterized by the flow of particles (i.e., electrons and nuclei) that compose the system. The flow, in turn, is quantitatively described by the flux (i.e.,â€¦ (More)