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Lal Friction Consulting
Lal Friction Consulting

Technical Topic

Quantum Chemistry

Curated research focused on this specialty area.

All topics Composites DOE Playbooks Friction Materials Manufacturing Engineering Quantum Chemistry Spectroscopy

Effect of cooperativity on the O-H stretching force constant in associated water species

1988 Quantum Chemistry
Authors Dr. Lal Cheruvalath et al.
Publication Proceedings of the Indian Academy of Sciences (Chemical Sciences)

Quantified how hydrogen bonding cooperativity influences O-H stretching frequencies--useful when engineering resin chemistry for thermal stability.

Ab initio molecular orbital calculations on ion-molecule and ion pair-molecule complexes of the water lithium cyanide system

1993 Quantum Chemistry
Authors Dr. Lal Cheruvalath et al.
Publication Journal of Molecular Structure (THEOCHEM)

Mapped molecular interactions inside lithium cyanide + water clusters to predict how compounds behave under high-energy loads.

Effect of hydrogen bonding and cooperativity on the stretching force constants of formamide

1992 Quantum Chemistry
Authors Dr. Lal Cheruvalath et al.
Publication International Journal of Quantum Chemistry

Linked IR spectra to hydrogen bonding networks--a useful reference when tuning polymer backbones for friction composites.

O-H stretching force constant in associated methanol species and the cooperativity effect

1989 Quantum Chemistry, Spectroscopy
Authors Dr. Lal Cheruvalath et al.
Publication International Journal of Quantum Chemistry

Quantified how cooperativity inside methanol clusters shifts O-H stretching frequencies--a building block for resin and solvent system design.

The cooperativity effect and the effect of self-association on the stretching force constants of acetonitrile

1989 Quantum Chemistry
Authors Dr. Lal Cheruvalath et al.
Publication Chemical Physics Letters

Demonstrated how acetonitrile clustering alters vibrational responses, helping engineers predict solvent stability in extreme environments.

Effect of self-association on N-H stretching force constants of ammonia

1993 Quantum Chemistry
Authors Dr. Lal Cheruvalath et al.
Publication Indian Journal of Physics

Delivered one of the definitive references on how ammonia's N-H stretching constant drifts with self-association.

Ab initio molecular orbital calculations on the associated complexes of lithium cyanide and ammonia

1995 Quantum Chemistry
Authors Dr. Lal Cheruvalath et al.
Publication International Journal of Quantum Chemistry

Predicted molecular structures and energies for lithium cyanide + ammonia complexes, insights Lal leverages in today's additive packages.

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