Sundaram Arulmozhiraja: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Benzdiynes revisited: ab initio and density functional theory

Sundaram Arulmozhiraja, Tadatake Sato, Akira Yabe

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 188 KB

english, 2001

2

Detection of Cu(hfac)(tmvs) by Li+ ion attachment mass spectrometry

Toshihiro Fujii, Sundaram Arulmozhiraja, Megumi Nakamura, Yoshiro Shiokawa

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 157 KB

english, 2006

3

In+ cation interactions with some organics: ab initio molecular orbital and density functional theory

Sundaram Arulmozhiraja, Toshihiro Fujii, Hiroaki Tokiwa

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 108 KB

english, 1999

4

Application of In+ ions in ion attachment mass spectrometry

Toshihiro Fujii, Sundaram Arulmozhiraja

Journal:

International Journal of Mass Spectrometry

Year:

2000

Language:

english

File:

PDF, 134 KB

english, 2000

5

Torsional barrier, ionization potential, and electron affinity of biphenyl—A theoretical study

Arulmozhiraja, Sundaram, Fujii, Toshihiro

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 282 KB

english, 2001

6

Density Functional Theory Studies on Radical Ions of Selected Polychlorinated Biphenyls

Arulmozhiraja, Sundaram, Fujii, Toshihiro, Morita, Masatoshi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 58 KB

english, 2002

7

Structures, Potential Energy Curves, and Torsional Barrier Heights for Selected Polychlorinated Biphenyls: A Density Functional Theory Study

Arulmozhiraja, Sundaram, Selvin, P. Christopher, Fujii, Toshihiro

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 58 KB

english, 2002

8

InOH: A Quantum Chemical Study

Arulmozhiraja, Sundaram, Fujii, Toshihiro, Tokiwa, Hiroaki

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

9

Theoretical Identification of Structural Elements for Stabilizing a Cavity Present in the Entrails of the Human Aryl Hydrocarbon Receptor Dioxin Binding Domain

Arulmozhiraja, Sundaram, Hagiwara, Yohsuke, Ohno, Takao, Tateno, Masaru

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 40 KB

english, 2010

10

Electron Affinity for the Most Toxic 2,3,7,8-Tetrachlorodibenzo- p -dioxin (TCDD): A Density Functional Theory Study

Arulmozhiraja, Sundaram, Fujii, Toshihiro, Tokiwa, Hiroaki

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 147 KB

english, 2000

11

Attractive Tetraceno[2,3- b ]thiophene Derivatives for Organic Transistor Applications: A Theoretical Analysis

Arulmozhiraja, Sundaram, Ohno, Takahisa

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 406 KB

english, 2008

12

The Production of H 2 O 2 in the Microwave Discharge Plasma of CH 4 /O 2

Fujii, Toshihiro, Iijima, Shinichi, Iwase, Keiichiro, Arulmozhiraja, Sundaram

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 49 KB

english, 2001

13

Complete Set of Critical Points on the C 60 H + Potential Energy Surface

Šala, Martin, Hodošček, Milan, Arulmozhiraja, Sundaram, Fujii, Toshihiro

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 475 KB

english, 2009

14

Is the Bisphenol A Biradical Formed in the Pyrolysis of Polycarbonate?

Arulmozhiraja, Sundaram, Coote, Michelle L., Kitahara, Yuki, Juhász, Márta, Fujii, Toshihiro

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.77 MB

english, 2011

15

Mass Spectrometry for On-Line Monitoring of Perfluoro Compounds Using Li + Ion Attachment Techniques

Fujii, Toshihiro, Arulmozhiraja, Sundaram, Nakamura, Megumi, Shiokawa, Yoshiro

Journal:

Analytical Chemistry

Year:

2001

Language:

english

File:

PDF, 56 KB

english, 2001

16

Li + Ion Affinities of Global-Warming Perfluorocarbons

Arulmozhiraja, Sundaram, Fujii, Toshihiro

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 94 KB

english, 2000

17

Benzdiynes (1,2,4,5-Tetradehydrobenzenes): Direct Observation by Wavelength-Selective Photolyses of Benzenetetracarboxylic Dianhydrides in Low-Temperature Nitrogen Matrixes

Sato, Tadatake, Arulmozhiraja, Sundaram, Niino, Hiroyuki, Sasaki, Shigekuni, Matsuura, Tohru, Yabe, Akira

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 155 KB

english, 2002

18

Origin of the Unusual Ultraviolet Absorption of Arsenicin A

Arulmozhiraja, Sundaram, Coote, Michelle L., Lu, Di, Salem, Geoffrey, Wild, S. Bruce

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.94 MB

english, 2011

19

Structure−Activity Relationships for the Toxicity of Polychlorinated Dibenzofurans: Approach through Density Functional Theory-Based Descriptors

Arulmozhiraja, Sundaram, Morita, Masatoshi

Journal:

Chemical Research in Toxicology

Year:

2004

Language:

english

File:

PDF, 127 KB

english, 2004

20

Substituent Effects on Benzdiyne: A Density Functional Theory Study

Arulmozhiraja, Sundaram, Sato, Tadatake, Yabe, Akira

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 177 KB

english, 2003

21

1 L a and 1 L b States of Indole and Azaindole: Is Density Functional Theory Inadequate?

Arulmozhiraja, Sundaram, Coote, Michelle L.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 3.73 MB

english, 2012

22

SiC 2 Revisited in a DFT Light

Arulmozhiraja, Sundaram, Kolandaivel, Ponmalai, Ohashi, Osamu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 43 KB

english, 1999

23

Electron Affinities and Reductive Dechlorination of Toxic Polychlorinated Dibenzofurans: A Density Functional Theory Study

Arulmozhiraja, Sundaram, Morita, Masatoshi

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 405 KB

english, 2004

24

Preparation of 1,5-dinitrenonaphthalene in cryogenic matrices

Sato, Tadatake, Niino, Hiroyuki, Arulmozhiraja, Sundaram, Kaise, Masahiro, Yabe, Akira

Journal:

Chemical Communications

Year:

2001

Language:

english

File:

PDF, 50 KB

english, 2001

25

CCSD calculations on C[sub 14], C[sub 18], and C[sub 22] carbon clusters

Arulmozhiraja, Sundaram, Ohno, Takahisa

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 464 KB

english, 2008

26

Density functional theory-based reactivity descriptors for dioxins

ARULMOZHIRAJA, SUNDARAM, FUJII, TOSHIHIRO, SATO, GEN

Journal:

Molecular Physics

Year:

2002

Language:

english

File:

PDF, 898 KB

english, 2002

27

Is the (hfac)Cu(I)–(tmvs) bond intrinsically weak?

Arulmozhiraja, Sundaram, Fujii, Toshihiro

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 137 KB

english, 2005

28

Possible production of C[sub 3]N[sub 4] in the microwave-discharge plasma of C[sub 2]H[sub 2]/N[sub 2]

Fujii, Toshihiro, Muraki, Junichi, Arulmozhiraja, Sundaram, Kareev, Michael

Journal:

Journal of Applied Physics

Year:

2000

Language:

english

File:

PDF, 474 KB

english, 2000

29

Chemistry of Cu deposition by Cu(hfac)(tmvs) monitored by Li[sup +] ion attachment mass spectrometry

Fujii, Toshihiro, Arulmozhiraja, Sundaram, Nakamura, Megumi, Shiokawa, Yoshiro

Journal:

Journal of Applied Physics

Year:

2006

Language:

english

File:

PDF, 308 KB

english, 2006

30

Sulfur Derivatives of the Natural Polyarsenical Arsenicin A: Biologically Active, Organometallic Arsenic–Sulfur Cages Related to the Minerals Realgar and Uzonite

Lu, Di, Arulmozhiraja, Sundaram, Coote, Michelle L., Rae, A. David, Salem, Geoff, Willis, Anthony C., Wild, S. Bruce, Benhenda, Shirine, Breitenbach, Valerie Lallemand, de Thé, Hugues, Zhai, Xiaoyi, H

Journal:

Organometallics

Year:

2015

Language:

english

File:

PDF, 4.30 MB

english, 2015

31

Electronic excitations of fluoroethylenes

Arulmozhiraja, Sundaram, Ehara, Masahiro, Nakatsuji, Hiroshi

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 539 KB

english, 2007

32

Electronic spectra and photodissociation of vinyl chloride: A symmetry-adapted cluster configuration interaction study

Arulmozhiraja, Sundaram, Fukuda, Ryoichi, Ehara, Masahiro, Nakatsuji, Hiroshi

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 102 KB

english, 2006

33

Electronic transitions in cis- and trans-dichloroethylenes and tetrachloroethylene

Arulmozhiraja, Sundaram, Ehara, Masahiro, Nakatsuji, Hiroshi

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 130 KB

english, 2008

34

C[sub 4]Cl: Bent or linear?

Arulmozhiraja, Sundaram, Ehara, Masahiro, Nakatsuji, Hiroshi

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 436 KB

english, 2006

35

Energy dissipative photoprotective mechanism of carotenoid spheroidene from the photoreaction center of purple bacteria Rhodobacter sphaeroides

Arulmozhiraja, Sundaram, Nakatani, Naoki, Nakayama, Akira, Hasegawa, Jun-ya

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.51 MB

english, 2015

36

Protonation state of F 420 H 2 in the prodrug-activating deazaflavin dependent nitroreductase (Ddn) from Mycobacterium tuberculosis

Mohamed, A. Elaaf, Ahmed, F. Hafna, Arulmozhiraja, Sundaram, Lin, Ching Y., Taylor, Matthew C., Krausz, Elmars R., Jackson, Colin J., Coote, Michelle L.

Journal:

Molecular BioSystems

Year:

2016

Language:

english

File:

PDF, 2.09 MB

english, 2016

37

Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

Arulmozhiraja, Sundaram, Coote, Michelle L., Hasegawa, Jun-ya

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 691 KB

english, 2015

38

Mechanistic Insight into Weak-Base-Catalyzed Generation of Carbon Monoxide from Phenyl Formate and Its Application to Catalytic Carbonylation at Room Temperature without Use of External Carbon Monoxide Gas

Konishi, Hideyuki, Matsubara, Mika, Mori, Keisuke, Tokiwa, Takaki, Arulmozhiraja, Sundaram, Yamamoto, Yuta, Ishikawa, Yoshinobu, Hashimoto, Hiroshi, Shigeta, Yasuteru, Tokiwa, Hiroaki, Manabe, Kei

Journal:

Advanced Synthesis & Catalysis

Year:

2017

Language:

english

File:

PDF, 2.13 MB

english, 2017

39

Alkanoylation of quinazoline by nucleophilic aromatic substitution: Combined experimental and computational study

Suzuki, Yumiko, Iwata, Naoto, Dobashi, Kohei, Takashima, Ryo, Arulmozhiraja, Sundaram, Ishitsubo, Erika, Matsuo, Naoya, Tokiwa, Hiroaki

Journal:

Year:

2017

Language:

english

File:

PDF, 941 KB

english, 2017

40

3-(Triflyloxy)benzynes Enable the Regiocontrolled Cycloaddition of Cyclic Ureas to Synthesize 1,4-Benzodiazepine Derivatives

Kaneko, Hideki, Ikawa, Takashi, Yamamoto, Yuta, Arulmozhiraja, Sundaram, Tokiwa, Hiroaki, Akai, Shuji

Journal:

Year:

2018

Language:

english

File:

PDF, 249 KB

english, 2018

41

Molecular association model of PPARα and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARMα

Yamamoto, Yuta, Takei, Kenta, Arulmozhiraja, Sundaram, Sladek, Vladimir, Matsuo, Naoya, Han, Song-iee, Matsuzaka, Takashi, Sekiya, Motohiro, Tokiwa, Takaki, Shoji, Mitsuo, Shigeta, Yasuteru, Nakagawa,

Journal:

Biochemical and Biophysical Research Communications

Year:

2018

Language:

english

File:

PDF, 1.53 MB

english, 2018

42

2P-030 Structural modelling of human Aryl hydrocarbon receptor and QM/MM study of its interaction with dioxins(The 46th Annual Meeting of the Biophysical Society of Japan)

Arulmozhiraja, Sundaram, Hagiwara, Yohsuke, Tateno, Masaru, Ohno, Takahisa

Journal:

Seibutsu Butsuri

Year:

2008

Language:

english

File:

PDF, 287 KB

english, 2008

43

Comparative Binding Analysis of Dipeptidyl Peptidase IV (DPP-4) with Antidiabetic Drugs – An Ab Initio Fragment Molecular Orbital Study

Arulmozhiraja, Sundaram, Matsuo, Naoya, Ishitsubo, Erika, Okazaki, Seiji, Shimano, Hitoshi, Tokiwa, Hiroaki, Proost, Paul

Journal:

Year:

2016

Language:

english

File:

PDF, 2.14 MB

english, 2016

44

Dual conformation of the ligand induces the partial agonistic activity of retinoid X receptor α (RXRα)

Miyashita, Yurina, Numoto, Nobutaka, Arulmozhiraja, Sundaram, Nakano, Shogo, Matsuo, Naoya, Shimizu, Kanade, Shibahara, Osamu, Fujihara, Michiko, Kakuta, Hiroki, Ito, Sohei, Ikura, Teikichi, Ito, Nobu

Journal:

Year:

2018

Language:

english

File:

PDF, 595 KB

english, 2018

45

Total Synthesis of Termicalcicolanone A via Organocatalysis and Regioselective Claisen Rearrangement

Ito, Saki, Kitamura, Taiki, Arulmozhiraja, Sundaram, Manabe, Kei, Tokiwa, Hiroaki, Suzuki, Yumiko

Journal:

Organic Letters

Year:

2019

File:

PDF, 1.08 MB

2019

46

Publisher's Note: “Electronic transitions in cis - and trans -dichloroethylenes and tetrachloroethylene” [J. Chem. Phys. 129 , 174506 (2008)]

Arulmozhiraja, Sundaram, Ehara, Masahiro, Nakatsuji, Hiroshi

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 224 KB

english, 2009

47

Hepatocyte Elovl6 determines ceramide acyl‐chain length and hepatic insulin sensitivity in mice

Matsuzaka, Takashi, Kuba, Motoko, Koyasu, Saori, Yamamoto, Yuta, Motomura, Kaori, Arulmozhiraja, Sundaram, Ohno, Hiroshi, Sharma, Rahul, Shimura, Takuya, Okajima, Yuka, Han, Song‐iee, Aita, Yuichi, Mi

Journal:

Year:

2019

Language:

english

File:

PDF, 3.39 MB

english, 2019

48

Elucidation of Molecular Mechanism of a Selective PPARÎ± Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations

Kawasaki, Mayu, Kambe, Akira, Yamamoto, Yuta, Arulmozhiraja, Sundaram, Ito, Sohei, Nakagawa, Yoshimi, Tokiwa, Hiroaki, Nakano, Shogo, Shimano, Hitoshi

Journal:

International Journal of Molecular Sciences

Year:

2020

File:

PDF, 2.31 MB

2020