Matrix-Isolation and ab Initio Study of HNgCCF and HCCNgF Molecules (Ng = Ar, Kr, and Xe)

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The Electronic and Optical Properties of ‎Pristine, Fluorinated and Chlorinated ‎Pentacene Molecules: An ab-initio Study

   In This research the effect of fluorine and chlorine substituents on the electronic and opticalproperties of pentacene molecule have been investigated based on density functional theory as implemented in SIESTA code. The results show thatthe full replacement of hydrogen atoms with fluorine and chlorine in pentacene molecule, leads to ...

متن کامل

THE EXTENDED LAW OF CORRESPONDING - STATES AND THE INTERMOLECULAR POTENTIALS FOR Ar-Ar, Ar-Kr AND Kr-Kr

An inversion procedure is used to obtain from the extended principle of corresponding - states the pair interaction potentials for argon, krypton and its mixture over a tetnperature range from absolute zero to the onset of ionization. The experimentally-reduced viscosity collision integrals obtained from the corresponding - states correlation have been inverted directly to give the reduced...

متن کامل

the study of practical and theoretical foundation of credit risk and its coverage

پس از بررسی هر کدام از فاکتورهای نوع صنعت, نوع ضمانت نامه, نرخ بهره , نرخ تورم, ریسک اعتباری کشورها, کارمزد, ریکاوری, gdp, پوشش و وثیقه بر ریسک اعتباری صندوق ضمانت صادرات ایران مشخص گردید که همه فاکتورها به استثنای ریسک اعتباری کشورها و کارمزد بقیه فاکتورها رابطه معناداری با ریسک اعتباری دارند در ضمن نرخ بهره , نرخ تورم, ریکاوری, و نوع صنعت و ریسک کشورها اثر عکس روی ریسک اعتباری داردو پوشش, وثی...

15 صفحه اول

Ab Initio Studies of Rotation and Solvent Effects for two important membrane molecules: DPPC and DMPC

DPPC (dipalmitoylphosphatidylcholine) and DMPC (dimyristoylphosphatidylcholine) are taken asphospholipids with an equal polar heads and with the difference in the length of hydrocarbonchains. Results obtain from the structural optimization of the isolated DPPC and DMPC in the gasphase, at the Hartree-Fock level of theory by means of STO-3g,3-21G, 6-31G and 6-31G* basissets. the most important d...

متن کامل

the extended law of corresponding - states and the intermolecular potentials for ar-ar, ar-kr and kr-kr

an inversion procedure is used to obtain from the extended principle of corresponding - states the pair interaction potentials for argon, krypton and its mixture over a tetnperature range from absolute zero to the onset of ionization. the experimentally-reduced viscosity collision integrals obtained from the corresponding - states correlation have been inverted directly to give the reduced-inte...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: The Journal of Physical Chemistry A

سال: 2010

ISSN: 1089-5639,1520-5215

DOI: 10.1021/jp1001622