Login
Login
切换导航
Home
Articles
Journals
Books
News
About
Services
Submit
Home
Journal
Articles
Journals A-Z
Browse Subjects
Biomedical & Life Sci.
Business & Economics
Chemistry & Materials Sci.
Computer Sci. & Commun.
Earth & Environmental Sci.
Engineering
Medicine & Healthcare
Physics & Mathematics
Social Sci. & Humanities
Browse Subjects
Biomedical & Life Sciences
Business & Economics
Chemistry & Materials Science
Computer Science & Communications
Earth & Environmental Sciences
Engineering
Medicine & Healthcare
Physics & Mathematics
Social Sciences & Humanities
Publish with us
Paper Submission
Information for Authors
Peer-Review Resources
Open Special Issues
Open Access Statement
Frequently Asked Questions
Publish with us
Paper Submission
Information for Authors
Peer-Review Resources
Open Special Issues
Open Access Statement
Frequently Asked Questions
Follow SCIRP
Contact us
+1 323-425-8868
customer@scirp.org
+86 18163351462(WhatsApp)
1655362766
Paper Publishing WeChat
Complete Matching
Editorial Board
Show/Hide Options
Show/Hide Options
All
Title
Abstract
Keywords
DOI
Author
Journal
Affiliation
ISSN
Subject
DFT Study on Reaction Mechanism of DNA Base Pair with Hydroxyl Radical
(Articles)
Eisuke Shimizu
,
Ryota Hoshino
,
Kazuya Nomura
,
Victor I. Danilov
,
Noriyuki Kurita
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A062
5,038
Downloads
8,807
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Conversion of 3,4-Dihydroxypyrrolidine-2,5-Dione to Maleimide through Tosylation and Mechanism Study by DFT
(Articles)
Maocai Yan
,
Zhen Zhang
,
Jinhui Zhou
,
Wei Li
,
Shuai Fan
,
Zhaoyong Yang
Computational Chemistry
Vol.6 No.3
,July 23, 2018
DOI:
10.4236/cc.2018.63004
1,146
Downloads
2,272
Views
Citations
Two-water-assisted racemization of the succinimide intermediate formed in proteins. A computational model study
(Articles)
Ohgi Takahashi
Health
Vol.5 No.12
,December 18, 2013
DOI:
10.4236/health.2013.512273
3,919
Downloads
5,758
Views
Citations
Surface Photografting of Novel Sulfobetaine Copolymers on Silica
(Articles)
Abhishek Kumar
,
Nazia Tarannum
,
Meenakshi Singh
Materials Sciences and Applications
Vol.3 No.7
,July 19, 2012
DOI:
10.4236/msa.2012.37066
4,747
Downloads
7,423
Views
Citations
Theoretical Study of 5-HTP. Potential New Drug Resulting from the Complexation of 5-HTP with ATP
(Articles)
Josette Weinberg
,
Dan A. Lerner
Computational Chemistry
Vol.1 No.1
,October 29, 2013
DOI:
10.4236/cc.2013.11001
5,970
Downloads
16,252
Views
Citations
Computational Study of the Molecular Complexes between 5-HTP with ATP and DHEA. Potential New Drug Resulting from This Complexation
(Articles)
Dan A. Lerner
,
Constantin Balaceanu-Stolnici
,
Josette Weinberg
,
Luminita Patron
Computational Chemistry
Vol.3 No.1
,January 16, 2015
DOI:
10.4236/cc.2015.31003
3,382
Downloads
4,362
Views
Citations
Computational Analysis of Theacrine, a Purported Nootropic and Energy-Enhancing Nutritional Supplement
(Articles)
Bradley O. Ashburn
,
Diana J. Le
,
Corin K. Nishimura
Computational Chemistry
Vol.7 No.1
,December 28, 2018
DOI:
10.4236/cc.2019.71002
1,050
Downloads
2,210
Views
Citations
Study of the Reactivity of (100) Felodipine Surface Model Based on DFT Concepts
(Articles)
Carlos Tepech-Carrillo
,
Roxana Licona-Ibarra
,
J. Francisco Rivas-Silva
,
Antonio Flores-Riveros
Open Journal of Physical Chemistry
Vol.9 No.1
,February 15, 2019
DOI:
10.4236/ojpc.2019.91001
867
Downloads
1,876
Views
Citations
Electrochemical Advanced Oxidation Processes (EAOPs) for Disinfecting Water—Fresh Perspectives
(Articles)
Djame Ghernaout
,
Noureddine Elboughdiri
,
Saad Ghareba
,
Alsamani Salih
Open Access Library Journal
Vol.7 No.4
,April 9, 2020
DOI:
10.4236/oalib.1106257
1,093
Downloads
3,298
Views
Citations
Calculation of the Nonlinear Susceptibility in van der Waals Crystals
(Articles)
Mingxi Chen
,
Chao Tang
,
Tadao Tanabe
,
Yutaka Oyama
Optics and Photonics Journal
Vol.9 No.11
,November 18, 2019
DOI:
10.4236/opj.2019.911016
630
Downloads
1,915
Views
Citations
A Quantum Chemical Screening of Two Imidazole-Chalcone Hybrid Ligands and Their Pd, Pt and Zn Complexes for Charge Transport and Nonlinear Optical (NLO) Properties: A DFT Study
(Articles)
Fritzgerald Kogge Bine
,
Numbonui Stanley Tasheh
,
Julius Numbonui Ghogomu
Computational Chemistry
Vol.9 No.4
,October 19, 2021
DOI:
10.4236/cc.2021.94012
237
Downloads
944
Views
Citations
Stability Studies of Lysine Acetylsalicylate (Aspirin Derivative): Mechanisms of Hydrolysis
(Articles)
Oussama Kamal
,
Abderazzak Benlyamani
,
Farid Serdaoui
,
Mohammed Riri
,
Abdelmjid Cherif
,
Miloudi Hlaïbi
Open Journal of Physical Chemistry
Vol.2 No.2
,May 22, 2012
DOI:
10.4236/ojpc.2012.22011
13,293
Downloads
22,795
Views
Citations
Exchange-Correlation Functional Comparison of Electronic Energies in Atoms Using a Grid Basis
(Articles)
Anthony D. Ryan
,
Andres Gama
,
Frank Felerski
,
William D. Parker
Journal of Applied Mathematics and Physics
Vol.10 No.11
,November 29, 2022
DOI:
10.4236/jamp.2022.1011225
76
Downloads
549
Views
Citations
Time-Effect Relationship of Toxicity Induced by Roundup® and Its Main Constituents in Liver of Carassius Auratus
(Articles)
Jinyu Fan
,
Jinju Geng
,
Hongqiang Ren
,
Xiaorong Wang
Computational Water, Energy, and Environmental Engineering
Vol.2 No.2B
,June 11, 2013
DOI:
10.4236/cweee.2013.22B004
3,289
Downloads
5,542
Views
Citations
Comparative Study of Experimental Enhancement in Free Radical Generation against Monte Carlo Modeled Enhancement in Radiation Dose Deposition Due to the Presence of High Z Materials during Irradiation of Aqueous Media
(Articles)
Nava Paudel
,
Diana Shvydka
,
E. Ishmael Parsai
Int'l J. of Medical Physics, Clinical Eng. and Radiation Oncology
Vol.4 No.4
,November 10, 2015
DOI:
10.4236/ijmpcero.2015.44036
3,609
Downloads
4,510
Views
Citations
Effects of Advanced Oxidation Processes on the Decomposition Properties of Organic Compounds with Different Molecular Structures in Water
(Articles)
Harufumi Suzuki
,
Shoichi Yamagiwa
,
Sadao Araki
,
Hideki Yamamoto
Journal of Water Resource and Protection
Vol.8 No.9
,July 27, 2016
DOI:
10.4236/jwarp.2016.89067
2,369
Downloads
4,166
Views
Citations
The Pursuit of Fallacy in Density Functional Theory: The Quest for Exchange and Correlation, the Rigorous Treatment of Exchange in the Kohn-Sham Formalism and the Continuing Search for Correlation
(Articles)
A. Gonis
World Journal of Condensed Matter Physics
Vol.4 No.3
,August 29, 2014
DOI:
10.4236/wjcmp.2014.43023
2,668
Downloads
4,460
Views
Citations
Accurate Ground State Electronic and Related Properties of Hexagonal Boron Nitride (h-BN)
(Articles)
Y. Malozovsky
,
C. Bamba
,
A. Stewart
,
L. Franklin
,
D. Bagayoko
Journal of Modern Physics
Vol.11 No.6
,June 18, 2020
DOI:
10.4236/jmp.2020.116057
518
Downloads
1,726
Views
Citations
Sensitivity of the C-N Vibration to Solvation in Dicyanobenzenes: A DFT Study
(Articles)
Arianna Gladney
,
Changyong Qin
,
Helene Tamboue
Open Journal of Physical Chemistry
Vol.2 No.2
,May 22, 2012
DOI:
10.4236/ojpc.2012.22016
3,781
Downloads
7,950
Views
Citations
Phase Behavior of Sphere-Forming Triblock Copolymers in Films
(Articles)
Hong-Ge Tan
,
Qing-Gong Song
,
Xin-Huan Yang
,
Ya-Jing Deng
Open Journal of Applied Sciences
Vol.2 No.3
,September 28, 2012
DOI:
10.4236/ojapps.2012.23023
3,660
Downloads
6,589
Views
Citations
<
1
2
3
...
>
Follow SCIRP
Contact us
+1 323-425-8868
customer@scirp.org
+86 18163351462(WhatsApp)
1655362766
Paper Publishing WeChat
Free SCIRP Newsletters
Home
Journals A-Z
Subject
Books
Sitemap
Contact Us
About SCIRP
Publication Fees
For Authors
Peer-Review Issues
Special Issues
News
Service
Manuscript Tracking System
Subscription
Translation & Proofreading
FAQ
Volume & Issue
Policies
Open Access
Publication Ethics
Preservation
Retraction
Privacy Policy
Copyright © 2006-2024 Scientific Research Publishing Inc. All Rights Reserved.
Top