Title	Publication Date	Language	Citations
IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments	1999/09/01	English
Densities of states and band widths of excitons in anthracene microcrystallites embedded in PMMA	1995/05/01	English
Manipulating the biochemical nanoenvironment around single molecules contained within vesicles	1999/08/01	English
Vibronic coupling for H2CO and CO2	2000/02/01	English
Determination of the first hyperpolarizability of multiphoton fluorescent nonlinear optical chromophores via hyper-Rayleigh scattering using fluorescence quenching	1999/07/01	English
Rovibrational dependence of the nuclear quadrupole coupling constants of HF, OH− and NeH+	1997/05/01	English
Kinetics and mechanisms of the reactions of CH and CD with H2S and D2S	1999/03/01	English
Primary steps of an electron–proton reaction in aqueous electrolyte solutions	2000/06/01	English
On the lowest-lying states and electronic structure of the ScN+ and ScP+ isovalent ions	1999/03/01	English
C–Br bond rupture in 193 nm photodissociation of vinyl bromide	1998/06/01	English
Threshold photoelectron spectroscopy of SF6	1997/03/01	English
Erratum	1999/10/01	English
High-resolution electron ionization study of CO, (CO)2 and (CO)3: appearance energies and bond dissociation energies	1998/12/01	English
A simple analytical estimate of the bound-free Franck–Condon factors for a transition to a repulsive exponential potential in a diatomic molecule	1998/11/01	English
Chain-length dependence of the optical properties of a series of push–pull polyenes: application to doped photorefractive polymers	1999/05/01	English
First-principles study on novel LiB2 phases and superconductivity at ambient pressure	2024/01/01	English
Energy relaxation pathways and their isotope effects of water bending mode in liquid phase: A nonequilibrium ab initio molecular dynamics simulation study	2024/01/01	English
Effect of cyano substitution in TADF molecules on luminescence properties: A theoretical study	2023/11/01	English
Computational study of graphene flakes for carbon capture	2023/10/01	English
Toward rational design of dual-metal-site single atom electrocatalysts for hydrogen and oxygen evolution reactions	2024/01/01	English
Tunable electronic and optical properties of AlSb/InSe heterojunction and As and Te doped AlSb/InSe heterojunction based on first principles	2024/01/01	English
Regular double-helix self-assembled from two poly(p_phenylene) chains under the inducement of metal nanoclusters	2023/11/01	English
Theoretical studies of the dissociation of Mn atoms on different crystal surfaces of LiMn0.5Fe0.5PO4	2023/11/01	English
Concentration dependence of microstructural evolution of Zr-Pt liquid alloys: A molecular dynamics study	2023/11/01	English
Role of Ar dilution of SiH4/PH3 gas mixture on PECVD based film growth process, hydrogen bonding configuration, and optical properties of n-type a-Si:H thin films	2023/11/01	English
Tailored auto-combustion synthesis and optical and structural characterization of TiO2:Dy3+(1–11 mol%) nanostructures for wLED and latent finger print applications	2023/11/01	English
Molecular dynamic simulation of the influence of layer charge characteristics on the anisotropic elastic properties of hydrated montmorillonites	2023/11/01	English
Non-adiabatic dynamical studies of the Rb(52P) + H2(X1 Σg+) → RbH(X1Σ+) + H(2s) reaction based on new diabatic potential energy surfaces	2023/11/01	English
Effects of electronic-vibrational resonance on the absorption and two-dimensional rephasing spectra of the Fenna–Matthews–Olson complex	2023/10/01	English
Execution of a quantum algorithm for calculating energies of some quantum mechanical systems	2024/01/01	English