DESMARAIS, Jacques Kontak
DESMARAIS, Jacques Kontak
CHIMICA
57Fe Mössbauer isomer shift of pure iron and iron oxides at high pressure—An experimental and theoretical study
2021-01-01 Desmarais J.K.; Bi W.; Zhao J.; Hu M.H.; Alp E.; Tse J.S.
Adiabatic connection in spin-current density functional theory
2020-01-01 Desmarais J.K.; Flament J.-P.; Erba A.
Approximate semianalytical solutions for the electromagnetic response of a dipping-sphere interacting with conductive overburden
2016-01-01 Jacques K. Desmarais; Richard S. Smith
Benefits of using multi-component transmitter{\textendash}receiver systems for determining geometrical parameters of a dipole conductor from single-line anomalies
2016-01-01 Jacques K. Desmarais; Richard S. Smith
Benzoquinone-Bridged Heterocyclic Zwitterions as Building Blocks for Molecular Semiconductors and Metals
2018-01-01 Lekin K.; Leitch A.A.; Assoud A.; Yong W.; Desmarais J.; Tse J.S.; Desgreniers S.; Secco R.A.; Oakley R.T.
Characterization of the B-Center Defect in Diamond through the Vibrational Spectrum: A Quantum-Mechanical Approach
2018-01-01 Salustro, Simone*; Ferrari, Anna Maria; Gentile, Francesco Silvio; Desmarais, Jacques Kontak; Rérat, Michel; Dovesi, Roberto
Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals
2021-01-01 Cossard A.; Desmarais J.K.; Casassa S.; Gatti C.; Erba A.
Combining spatial components and Hilbert transforms to interpret ground-time-domain electromagnetic data
2015-01-01 Jacques K. Desmarais; Richard S. Smith
CRYSTAL23
2023-01-01 R. Dovesi, V.R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N.M. Harrison, I.J. Bush, Ph. D’Arco, M. Llunell, M. Causà, Y. Noel, L. Maschio, A. Erba, M. Rerat, S. Casassa, B.G. Searle, J.K. Desmarais
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
2022-01-01 Erba A.; Desmarais J.K.; Casassa S.; Civalleri B.; Dona L.; Bush I.J.; Searle B.; Maschio L.; Edith-Daga L.; Cossard A.; Ribaldone C.; Ascrizzi E.; Marana N.L.; Flament J.-P.; Kirtman B.
Decomposing the electromagnetic response of magnetic dipoles to determine the geometric parameters of a dipole conductor
2016-01-01 Jacques K. Desmarais; Richard S. Smith
Desmarais et al. Reply:
2022-01-01 Jacques K. Desmarais; Alessandro Erba; Yuanming Pan; Bartolomeo Civalleri; John S. Tse
Efficient calculation of derivatives of integrals in a basis of non-separable Gaussians
2023-01-01 Desmarais J.K.; De Frenza A.; Erba A.
Fast automated airborne electromagnetic data interpretation using parallelized particle swarm optimization
2017-01-01 Desmarais J.K.; Spiteri R.J.
First-principles calculation of the optical rotatory power of periodic systems: Modern theory with modern functionals
2023-01-01 Desmarais J.K.; Kirtman B.; Rerat M.
Fundamental Role of Fock Exchange in Relativistic Density Functional Theory
2019-01-01 Desmarais J.K.; Flament J.-P.; Erba A.
Generalization of the periodic LCAO approach in the CRYSTAL code to g-type orbitals
2018-01-01 Desmarais, J.K.; Erba, A.*; Dovesi, R.
Graphene and graphene oxide as adsorbents for cadmium and lead heavy metals: A theoretical investigation
2020-01-01 Elgengehi S.M.; El-Taher S.; Ibrahim M.A.A.; Desmarais J.K.; El-Kelany K.E.
Mechanisms for Pressure-Induced Isostructural Phase Transitions in EuO
2021-01-01 Desmarais J.K.; Erba A.; Pan Y.; Civalleri B.; Tse J.S.
On closed-form expressions for the approximate electromagnetic response of a sphere interacting with a thin sheet-Part 1: Theory in the frequency and time domain
2019-01-01 Desmarais J.K.