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Development of many-body perturbation theory: How to combine with quantum electrodynamics
British Library Conference Proceedings | 2014| -
Chemical reaction with two different elementary transition states
British Library Conference Proceedings | 2014| -
Hydration structure of Na+, K+, F-, and Cl- in ambient and supercritical water: A quantum mechanics/molecular mechanics study
British Library Conference Proceedings | 2014| -
Uncertainty quantification in thermochemistry, benchmarking electronic structure computations, and Active Thermochemical Tables
British Library Conference Proceedings | 2014| -
Effective atomic orbitals: A tool for understanding electronic structure of molecules
British Library Conference Proceedings | 2014| -
The statement of goals of the international society for theoretical chemical physics
British Library Conference Proceedings | 2014| -
Materials design by quantum-chemical and other theoretical/computational means: Applications to energy storage and photoemissive materials
British Library Conference Proceedings | 2014| -
Convergence of the bipolar expansion for the coulomb potential
British Library Conference Proceedings | 2014| -
Beyond pairwise additivity in London dispersion interactions
British Library Conference Proceedings | 2014| -
The uniqueness of physical and chemical natures of graphene: Their coherence and conflicts
British Library Conference Proceedings | 2014| -
Theoretical investigation of a positron binding to an aspartame molecule using the ab initio multicomponent molecular orbital approach
British Library Conference Proceedings | 2014| -
Double hybrid density-functional theory using the coulomb-attenuating method
British Library Conference Proceedings | 2014| -
Challenges in the theoretical description of nanoparticle reactivity: Nano zero-valent iron
British Library Conference Proceedings | 2014| -
Quantum molecular biological investigation of the onset of cancer
British Library Conference Proceedings | 2014| -
Quantum Monte Carlo for activated reactions at solid surfaces: Time well spent on stretched bonds
British Library Conference Proceedings | 2014| -
The chemical physics of unconventional superconductivity
British Library Conference Proceedings | 2014| -
Molecular Quantum Theory: Separable Electronuclear Wave Functions and Vibronic States-A Generalized Diabatic Approach
British Library Conference Proceedings | 2004| -
The force matching approach to multiscale simulations: Merits, shortcomings, and future perspectives
British Library Conference Proceedings | 2014| -
First-Principles Calculation of Formation Energy of Neutral Point Defects in Perovskite-Type BaTiO~3
British Library Conference Proceedings | 2004| -
Theoretical Vibrational Spectra of Organic Ring Compounds Compared to Experiment
British Library Conference Proceedings | 2004| -
Electronic transition dipole moment: A semi-biorthogonal approach within valence universal coupled cluster framework
British Library Conference Proceedings | 2014| -
Ab-Initio Study of the Structural Phase Transition of SrSe and SrTe Under Pressure
British Library Conference Proceedings | 2004| -
Calculation of response properties with the normalized elimination of the small component method
British Library Conference Proceedings | 2014| -
A Pythagorean approach to problems of periodicity in chemical and nuclear physics
British Library Conference Proceedings | 2003| -
Analytic energy derivatives in relativistic quantum chemistry
British Library Conference Proceedings | 2014| -
Are carbon-halogen double and triple bonds possible?
British Library Conference Proceedings | 2014| -
Molecular switch properties of 7-hydroxyquinoline compounds
British Library Conference Proceedings | 2014| -
The Influence of Orientation and Strength of External Magnetic Field on the Time Dependences of Populations of Atomic Levels for Lamda Systems
British Library Conference Proceedings | 2004| -
Resonant Tunneling in the Presence of Two Electric Fields: One Static and the Other Oscillating
British Library Conference Proceedings | 2000|
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