Results 301 to 310 of about 170,778 (310)

Aqua–potassium(I) complexes: Ab initio study

Journal of Chemical Physics, 1999
Han Myoung Lee, Jongseob Kim, Sik Lee
exaly  

???????????????????? ?????????????????? ?????????????????? ?????????? ???????????????????????????? ?????????????????????????? ?????????? ?????????????????????? ?? ?????????????? ???????????????????? ???????????? ?? ?????????????????? ???????????????? N7H: ???????????????????? ab initio ?????????????????????? ?? ??????????????

2019
???? ???????????? ab initio ???????????????? (MP2l6-31G**//HFl6-31G**) ?? ??????????????, ???????????????????? ???????????????????? ?????????????????? ???????????????????????? ?????????????????? ?? ???????????? ??????????????-?????????????????????? ??????????????????, ???????????????????????????? ???????????????????????????? ????????????-???????? ??? ??
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Elastic properties of Cr2AlC thin films probed by nanoindentation and ab initio molecular dynamics

Scripta Materialia, 2007
Jochen M Schneider, Denis Music, Jens Emmerlich   +2 more
exaly  

Characterization of dynamics and reactivities of solvated ions byab initio simulations

Journal of Computational Chemistry, 2004
Thomas S Hofer, Christian F Schwenk, Bernd M Rode   +2 more
exaly  

AB INITIO

Технологии и оборудование химической, биотехнологической и пищевой промышленности: материалы XVIII Всероссийской научно-практической конференции студентов, аспирантов и молодых ученых с международным участием (2123 мая 2025 года, г. Бийск)
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AB INITIO MOLECULAR DYNAMICS

2019
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Ab initio Modeling

2005
Jeffrey Skolnick, Yang Zhang, Andrzej Kolinski   +2 more
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Ab initio methods.

Methods of biochemical analysis, 2003
Dylan, Chivian, Timothy, Robertson, Richard, Bonneau, David, Baker   +3 more
openaire   +1 more source

The Ab Initio Method

2008
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Ab initio Phasing

2007
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