Keyword

force constants

Description: Parameters in molecular physics and chemistry that quantify the stiffness of bonds or other interactions around an equilibrium configuration.

Primary topic: Thermal properties of materials (23%)

OpenAlex ID: keywords/force-constants

Development and testing of a general amber force field

2004 · Junmei Wang, Romain M. Wolf, et al. · Journal of Computational Chemistry · 19,512

Calibration of atomic-force microscope tips

1993 · Jeffrey L. Hutter, John Bechhoefer · Review of Scientific Instruments · 4,195

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

2002 · Donald W Brenner, Olga A Shenderova, et al. · Journal of Physics Condensed Matter · 3,726

PDF

First-Principles Determination of the Soft Mode in Cubic ZrO 2

1997 · K. Parlinski, Z. Q. Li, et al. · Physical Review Letters · 2,839

Infrared Spectra of Ferrites

1955 · R. D. Waldron · Physical Review · 2,520

Accurate bond and angle parameters for X-ray protein structure refinement

1991 · R. A. Engh, R. Huber · Acta Crystallographica Section A Foundations of Crystallography · 2,489

Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules

1969 · P. Pulay · Molecular Physics · 2,391

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

1979 · Peter Pulay, Geza Fogarasi, et al. · Journal of the American Chemical Society · 2,118

Nanoelectromechanical Systems

2000 · H. G. Craighead · Science · 1,438

The Normal Modes and Frequencies of Vibration of the Regular Plane Hexagon Model of the Benzene Molecule

1934 · E. Bright Wilson · Physical Review · 1,401

Vibrational analysis of the n-paraffins—II

1963 · J.H. Schachtschneider, R.G. Snyder · Spectrochimica Acta · 1,131

Models for the elastic deformation of honeycombs

1996 · I.G. Masters, K.E. Evans · Composite Structures · 1,096

Infrared and Raman study of WO3 tungsten trioxides and WO3, xH2O tungsten trioxide tydrates

1987 · M.F. Daniel, B. Desbat, et al. · Journal of Solid State Chemistry · 1,035

Total-energy all-electron density functional method for bulk solids and surfaces

1982 · M. Weinert, E. Wimmer, et al. · Physical review. B, Condensed matter · 1,001

A Method of Obtaining the Expanded Secular Equation for the Vibration Frequencies of a Molecule

1939 · E. Bright Wilson · The Journal of Chemical Physics · 845

Relativistic effects in gold chemistry. I. Diatomic gold compounds

1989 · Peter Schwerdtfeger, Michael Dolg, et al. · The Journal of Chemical Physics · 835

Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules

1994 · J. R. Maple, M.‐J. Hwang, et al. · Journal of Computational Chemistry · 820

Size effects in the Raman spectra of TiO2 nanoparticles

2004 · Hyun Chul Choi, Young Mee Jung, et al. · Vibrational Spectroscopy · 788

Microscopic Theory of Force Constants in the Adiabatic Approximation

1970 · Robert M. Pick, Morrel H. Cohen, et al. · Physical review. B, Solid state · 772

Vibrational analysis of polyaniline: A comparative study of leucoemeraldine, emeraldine, and pernigraniline bases

1994 · S. Quillard, G. Louarn, et al. · Physical review. B, Condensed matter · 760

Microfabrication of cantilever styli for the atomic force microscope

1990 · T. R. Albrecht, S. Akamine, et al. · Journal of Vacuum Science & Technology A Vacuum Surfaces and Films · 748

Tables of molecular vibrational frequencies

1978 · Takehiko Shimanouchi, Hiroatsu Matsuura, et al. · Journal of Physical and Chemical Reference Data · 736

MCPB.py: A Python Based Metal Center Parameter Builder

2016 · Pengfei Li, Kenneth M. Merz · Journal of Chemical Information and Modeling · 732

First-principles study of structural, vibrational, and lattice dielectric properties of hafnium oxide

2002 · Xinyuan Zhao, David Vanderbilt · Physical review. B, Condensed matter · 722

PDF

The Relation Between the Internuclear Distances and Force Constants of Molecules and Its Application to Polyatomic Molecules

1935 · Richard M. Badger · The Journal of Chemical Physics · 706

Works count: 10,600

Citation count: 233,100