This review focuses on the calculation of rovibrational energies of polyatomic molecules
using the code MULTIMODE. This code, which uses normal coordinates and a hierarchical n …

The purpose of this review is to demonstrate advances, challenges and perspectives of
quantum chemical approaches in molecular spectroscopy of the condensed phase …

The infrared spectrum (IR) characteristic peaks of amide I, amide II, and amide III bands are
marked as amide or peptide characteristic peaks. Through the nuclear magnetic resonance …

Femtosecond infrared (IR) pump probe and dynamic hole burning experiments were used to
examine the ultrafast response of the modes in the 1600− 1700 cm-1 region (the so-called …

We report the first use of pulsed terahertz spectroscopy to examine low-frequency collective
vibrational modes of biomolecules. Broadband absorption increasing with frequency was …

Potential features of quantum computation could explain enigmatic aspects of
consciousness. The Penrose—Hameroff model (orchestrated objective reduction:'Orch OR') …

We report calculations of the vibrational energies of CO–Cu (100) using a new code to
perform vibrational self-consistent field (VSCF) and state-mixing calculations for many-mode …

The dynamics of water surrounding a solute is of fundamental importance in chemistry and
biology. The properties of water molecules near the surface of a bio-molecule have been the …

Abstract The Penrose-Hameroff orchestrated objective reduction (orch. OR) model assigns a
cognitive role to quantum computations in microtubules within the neurons of the brain …

Vibrational energy levels, wave functions, and ir absorption intensities are computed for
(H2O) n clusters with n= 2, 3, 4, and 5. The calculations were carried out by the vibrational …