Comparison Chosen DFT Methods with Six Basis Sets on Harmine Molecule

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود 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

Optimization of Dft Methods and Basis Sets to Investigate the Decomposition of Novel Hedms

Density functional theory (DFT) was used to understand the shock sensitivity on the properties of high energy density materials (HEDMs) using 1-(2-nitro2-azapropyl)-5H-tetrazole as a test molecule due to its small size and similar explosive properties to more common explosive compounds such as hexahydro-1,3,5-trinitro1,3,5-triazine (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX)....

متن کامل

on the comparison of keyword and semantic-context methods of learning new vocabulary meaning

the rationale behind the present study is that particular learning strategies produce more effective results when applied together. the present study tried to investigate the efficiency of the semantic-context strategy alone with a technique called, keyword method. to clarify the point, the current study seeked to find answer to the following question: are the keyword and semantic-context metho...

15 صفحه اول

Comparison of six DNA quantification methods

Six commercial preparations of human genomic DNA were quantified using six quantification methods including UV spectrometry, SYBR-green dye staining, slotblot hybridization with the probe D17Z1, and three TaqMan real-time PCR assays: Quantifilerk Human DNA Quantification kit, Quantifilerk Y DNA Quantification kit, and RB1 rt-PCR. In general, all methods measured higher DNA concentrations than e...

متن کامل

Non-Covalent Interactions with Dual-Basis Methods: Pairings for Augmented Basis Sets.

Basis set pairings for dual-basis calculations are presented for the aug-cc-pVXZ (X = D, T, Q) series of basis sets. Fidelity with single-basis results is assessed at the second-order Møller-Plesset perturbation theory (MP2) level within the resolution-of-the-identity (RI) approximation, using the S22 set of noncovalent interactions and a series of electron affinities from the G3 set. Root-mean...

متن کامل

A Note on Chosen-Basis Decisional Diffie-Hellman Assumptions

This note discusses two Decisional Diffie-Hellman assumption variants introduced by Abdalla and Pointcheval at Financial Cryptography’ 05. The authors introduce two new problems and assumptions: the Chosen-Basis Decisional Diffie-Hellman assumption #1 (CDDH1), and the Chosen-Basis Decisional Diffie-Hellman assumption #2 (CDDH2), and suggest that these assumptions warrant further analysis. The p...

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: Journal of the Korean Chemical Society

سال: 2013

ISSN: 1017-2548

DOI: 10.5012/jkcs.2013.57.1.20