Results 221 to 230 of about 631,655 (244)

Ab initio simulation of charged slabs at constant chemical potential

Journal of Chemical Physics, 2001
Jorge Kohanoff
exaly  

FOX, `free objects for crystallography': a modular approach toab initiostructure determination from powder diffraction

Journal of Applied Crystallography, 2002
Radovan Černý, Vincent Favre-Nicolin
exaly  

Aqua–potassium(I) complexes: Ab initio study

Journal of Chemical Physics, 1999
Kwang S Kim, Jongseob Kim, Sik Lee
exaly  

Ab initio ?????????????? ???????????????? ???????????? ?? ?????????????????? ?? ???????? ?????????????? ???????????????????????????????? Ne ?????? ??????????????????

2017
???????????????????????? ???????????????????? ab initio ?????????????????????? ???????????????? ???? ?????????????????????????? ???????????????????? ???????????????? Ne ?? ????????????, ???? ???????? ???????????????? ???????????????????? ?????????????????????? ???????????????? ?? ???????????????????? ????????????????????. ???? ?????????????????? ???????
openaire   +1 more source

Ab initio thermodynamics of liquid and solid water

Proceedings of the National Academy of Sciences of the United States of America, 2019
Christoph Dellago, Jörg Behler, Bingqing Cheng   +2 more
exaly  

Ab initio and experimental structures of CH 3 NC

Journal of Molecular Structure, 2001
H D Rudolph, L Margules
exaly  

Ab initiophasing at resolution higher than experimental resolution

Acta Crystallographica Section D: Biological Crystallography, 2005
Giovanni Luca Cascarano, Benedetta Carrozzini, Rocco Caliandro   +2 more
exaly  

An ab initio study of water molecules in the bromide ion solvation shell

Journal of Chemical Physics, 2002
Simone Raugei
exaly  

l-Cysteine: Neutron spectroscopy, Raman, IR and ab initio study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2005
Andrzej Pawlukojc, Anibal Ramirez-Cuesta   +1 more
exaly  

Ab Initio

2008
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