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Keyword

bond angles

Description: Geometric measures of the angles between bonds joining atoms, used to describe and analyze molecular and crystal structures.
OpenAlex ID: keywords/bond-angles
Optimization of parameters for semiempirical methods II. Applications
1989 · James J. P. Stewart · Journal of Computational Chemistry · 3,749
Conformation of Polypeptides and Proteins
1968 · G.N. Ramachandran, V. Sasisekharan · Advances in protein chemistry · 2,941
6-31G* basis set for atoms K through Zn
1998 · Vitaly A. Rassolov, John A. Pople, et al. · The Journal of Chemical Physics · 2,084
Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems
1966 · J. A. Pople, G. A. Segal · The Journal of Chemical Physics · 1,911
Direct Measurement of Distances and Angles in Biomolecules by NMR in a Dilute Liquid Crystalline Medium
1997 · Nico Tjandra, Ad Bax · Science · 1,719
Tables of interatomic distances and configuration in molecules and ions
1958 · H. J. M. Bowen, L. E. Sutton · Chemical Society eBooks · 1,348
Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygen
1977 · Michael J. S. Dewar, Walter Thiel · Journal of the American Chemical Society · 1,346
Steric engineering of metal-halide perovskites with tunable optical band gaps
2014 · Marina R. Filip, Giles E. Eperon, et al. · Nature Communications · 1,082
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Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap
1965 · J. A. Pople, G. A. Segal · The Journal of Chemical Physics · 1,081
The Chemical Bond in Inorganic Chemistry: The Bond Valence Model
2002 · I. D. Brown · 1,058
Optimised parameters for A-DNA and B-DNA
1972 · Struther Arnott, D.W.L. Hukins · Biochemical and Biophysical Research Communications · 973
ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program for crystal structure illustrations
1996 · Oak Ridge National Lab., TN (United States), M Burnett, et al. · 921
Molecular structures of gas-phase polyatomic molecules determined by spectroscopic methods
1979 · Marlin D. Harmony, Victor W. Laurie, et al. · Journal of Physical and Chemical Reference Data · 911
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Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94
1996 · Thomas A. Halgren · Journal of Computational Chemistry · 814
Atomistic Line Graph Neural Network for improved materials property predictions
2021 · Kamal Choudhary, Brian DeCost · npj Computational Materials · 762
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Development of polyphosphate parameters for use with the AMBER force field
2003 · Kristin L. Meagher, Luke T. Redman, et al. · Journal of Computational Chemistry · 708
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The Vsepr Model of Molecular Geometry
1986 · I. HARGITTAI, B. CHAMBERLAND · Symmetry · 608
Phonons in A X 2 glasses: From molecular to band-like modes
1977 · P. N. Sen, M. F. Thorpe · Physical review. B, Solid state · 576
OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations
1976 · C.K. Johnson · 573
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Refinement of theαAl2O3, Ti2O3, V2O3and Cr2O3structures*
1962 · R. E. Newnham, Y. M. de Haan · Zeitschrift für Kristallographie · 566
A Stable Compound Containing a Silicon-Silicon Triple Bond
2004 · Akira Sekiguchi, Rei Kinjo, et al. · Science · 560
The crystal structure of
2010 · M. Tegel, C. Löhnert, et al. · Solid State Communications · 533
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Synthesis of an Extremely Bent Acyclic Allene (A “Carbodicarbene”): A Strong Donor Ligand
2008 · C. Adam Dyker, Vincent Lavallo, et al. · Angewandte Chemie International Edition · 514
Calculation of Molecular Structure and Energy by Force-Field Methods
1976 · N.L. Allinger · Advances in physical organic chemistry · 481
The crystal chemistry of the silicate garnets
1971 · Gary A. Novak, G. V. Gibbs · American Mineralogist · 474
Works count: 6,920
Citation count: 166,800
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