Results 121 to 130 of about 10,051 (282)
THE ELECTRONIC ISOTOPE SHIFT IN DIATOMIC MOLECULES [PDF]
, 1968 S.H. Bauer, G. Herzberg, and J.W.C. Johsn, J. Mol. Spectry., 13, 256 (1964). G. Herzberg, ``The Spectra of Diatomic Molecules'', Van Nostrand (1950).Author Institution: Division of Pure Physics, National Research Council of CanadaThe potential energy ...
Bunker, P. R.
core
NEGLECT OF DIATOMIC DIFFERENTIAL-OVERLAP IN NONEMPIRICAL QUANTUM-CHEMICAL ORBITAL THEORIES .3. ON THE SPECTRUM OF THE OVERLAP MATRIX FOR DIATOMIC-MOLECULES OVER LOCALLY ORTHOGONALIZED BASIS FUNCTIONS [PDF]
, 1995 The sum of the smallest and the greatest eigenvalue of the overlap matrix of diatomic molecules in a basis of locally orthogonalized linearly independent functions is equal to 2.
ENGEL, KLAUS JOCHEN OTTO, NEYMEYR K
core +1 more source
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.This review is about material design based on engineering multilevel sites from theoretical calculation and synthetic routes to mechanism, structure–activity relationship, challenges and perspectives for boosting hydrogen production in alkaline electrolyte. Electrolytic water splitting is a clean, carbon‐free method for producing green hydrogen and has
Ke Zhang +9 more
wiley +1 more source
Interaction of N2, O2 and H2 Molecules with Superalkalis
ChemistryOpenSuperalkalis (SAs) are exotic clusters having lower ionization energy than alkali atoms, which makes them strong reducing agents. In the quest for the reduction of diatomic molecules (X2) such as N2, O2, and H2 using Møller‐Plesset perturbation theory ...
Harshita Srivastava +2 more
doaj +1 more source
A Method for the Variational Calculation of Hyperfine-Resolved Rovibronic Spectra of Diatomic Molecules. [PDF]
J Chem Theory Comput, 2022 Qu Q, Yurchenko SN, Tennyson J.
europepmc +1 more source
Electric multipole moments of some diatomic molecules [PDF]
, 2009 Molecular Electric Multipole Moment (MEMM) integrals have been derived for diatomic molecular systems, and then some lower multipole moments as dipole moments and quadrupole moments have been calculated for some diatomic molecules.
Sezer, M. Özgür +2 more
core
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.As a metalloid with broad prospects in advanced applications, Te has not been fully clarified in terms of its intricate electrochemical behaviors across varied systems. This review systematically integrates fundamental electrochemical mechanisms, reaction kinetics identifications, and device application insights, establishing a comprehensive framework ...
Meng Zhang +6 more
wiley +1 more source
Vibronic Coupling in Spherically Encapsulated, Diatomic Molecules: Prediction of a Renner-Teller-like Effect for Endofullerenes. [PDF]
J Phys Chem A, 2022 Hauser AW, Pototschnig JV.
europepmc +1 more source
Phase Equilibria of Diatomic Lennard-Jones Molecules Using Monte Carlo Simulation [PDF]
, 2006 The overall aim of this research is to use computer simulations to study vapor-liquid and solid-liquid phase behavior of simple nonspherical molecules with a special focus on determining how the differences in the components' molecular size and ...
Galbraith, Aysa Lamia
core
Geological Journal, EarlyView.Chemical states of Se and Br atoms in the KPg boundary sediments from Stevns Klint were studied using XAFS spectroscopy. The high concentrations of Se4+ could become an index of the degree to which the global environment was soiled with dust and ash derived from impact ejecta or volcanic eruptions.
Kei‐ichiro Murai +5 more
wiley +1 more source