Results 281 to 290 of about 952,884 (290)

Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

Chemical Reviews, 2010
Kevin E Riley, Michal Pitoňák, Pavel Hobza   +2 more
exaly  

Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

Chemical Reviews, 2012
Trygve Helgaker, Sonia Coriani
exaly  

Advances in Radiation Therapy: Conventional to 3D, to IMRT, to 4D, and Beyond

Ca-A Cancer Journal for Clinicians, 2005
exaly  

Ab initio calculations of mechanical properties: Methods and applications

Progress in Materials Science, 2015
Jaroslav Pokluda
exaly  

Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications

Chemical Reviews, 2016
Jan Řezáč, Pavel Hobza
exaly  

Recent advances in quantum scattering calculations on polyatomic bimolecular reactions

Chemical Society Reviews, 2017
Bina Fu, Xiao Shan, David C Clary
exaly  

First-principles molecular transport calculations

2016
openaire   +1 more source

First-principles calculations and theory

2016
openaire   +1 more source

First-principles calculation of phonons

1998
van Gelderen, P., Kelly, Paul J., Brocks, G.   +2 more
openaire   +1 more source

FIRST PRINCIPLE CALCULATION OF STROMEYERITE

2013
Yılmaz, Mehmet, Öztek, Hakan, Yalçın, Zeynel, Kavanoz, H. Bırtan, Ilgaz, Isıl P., Icellı, Orhan   +5 more
openaire   +1 more source