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1

Ab initio effective core potential studies on polymers

Hiroyuki Teramae, Tokio Yamabe, Akira Imamura

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1983

Language:

english

File:

PDF, 602 KB

english, 1983

2

Three-Dimensional Visualization of Wave Functions for Rotating Molecule: Plot of Spherical Harmonics

Nagaoka, Shin-ichi, Teramae, Hiroyuki, Nagashima, Umpei

Journal:

Journal of Chemical Education

Year:

2013

Language:

english

File:

PDF, 435 KB

english, 2013

3

Comment on ‘‘Electronic properties of polymeric silicon hydrides’’

Teramae, Hiroyuki

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 76 KB

english, 1992

4

Hexasilabenzene (Si 6 H 6 ). Is the benzene‐like D 6 h structure stable?

Nagase, Shigeru, Teramae, Hiroyuki, Kudo, Takako

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 538 KB

english, 1987

5

NBD-Based Green Fluorescent Ligands for Typing of Thymine-Related SNPs by Using an Abasic Site-Containing Probe DNA

Viruthachalam Thiagarajan, Arivazhagan Rajendran , Hiroyuki Satake , Seiichi Nishizawa , Norio Teramae

Journal:

Year:

2010

Language:

english

File:

PDF, 363 KB

english, 2010

6

Conformers of Saturated Chains: Matrix Isolation, Structure, IR and UV Spectra of n-Si4Me10

Dr. Bo Albinsson, Dr. Hiroyuki Teramae, Dr. John W. Downing, Prof. Josef Michl

Journal:

Chemistry - A European Journal

Year:

1996

Language:

english

File:

PDF, 1.41 MB

english, 1996

7

Energy gradient in the ab initio Hartree—Fock crystal-orbital formalism of one-dimensional infinite polymers

Hiroyuki Teramae, Tokio Yamabe, Chikatoshi Satoko, Akira Imamura

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 266 KB

english, 1983

8

Theoretical study on gauche-kink in polysilane polymer

Hiroyuki Teramae, Nobuo Matsumoto

Journal:

Solid State Communications

Year:

1996

Language:

english

File:

PDF, 253 KB

english, 1996

9

Ab initio mo study of acetylene adsorbed on Ni(111) surface

Hisayoshi Kobayashi, Hiroyuki Teramae, Tokio Yamabe, Masaru Yamaguchi

Journal:

Surface Science Letters

Year:

1984

Language:

english

File:

PDF, 110 KB

english, 1984

10

The energy optimized configurations of Be18 and Be20 clusters and the effect of He atom in these clusters

Hiroshi Kato, Kimihiko Hirao, Hiroyuki Teramae

Journal:

Chemical Physics

Year:

1984

Language:

english

File:

PDF, 543 KB

english, 1984

11

Study on optimization of molecular structure using Hamiltonian algorithm

Kazushige Ohtawara, Hiroyuki Teramae

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 610 KB

english, 2004

12

Imino–enamine tautomerism and dynamic prototropy in 1-imino-3-amino-1H-indens

Yoko Mukano, Mai Momochi, Yuriko Takanashi, Mitsuaki Suzuki, Hidetsugu Wakabayashi, Hiroyuki Teramae, Keiji Kobayashi

Journal:

Year:

2010

Language:

english

File:

PDF, 748 KB

english, 2010

13

Novel push–pull π-conjugated compounds suffering steric hindrance between donor and acceptor subunits

Daisuke Masuda, Hidetsugu Wakabayashi, Hiroshi Miyamae, Hiroyuki Teramae, Keiji Kobayashi

Journal:

Tetrahedron Letters

Year:

2008

Language:

english

File:

PDF, 555 KB

english, 2008

14

Conformational effects in UV absorption spectra of tetrasilanes

Roman Imhof, Hiroyuki Teramae, Josef Michl

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 414 KB

english, 1997

15

Geometry of the localized σσ∗ excited state of n-tetrasilane

Hiroyuki Teramae, Josef Michl

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 492 KB

english, 1997

16

Geometrical and electronic structures of polyacetylene chlorinated via prolonged chemical doping

Kazuo Agagi, Tooru Kadokura, Hideki Shirakawa, Hiroyuki Teramae, Akira Imamura

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 474 KB

english, 1990

17

Dynamic stability of carbonyl ylides

Akimoto Tachibana, Masahiko Koizumi, Iwao Okazaki, Hiroyuki Teramae, Tokio Yamabe

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1987

Language:

english

File:

PDF, 616 KB

english, 1987

18

Mixing parameters for geometry optimization using the Hamiltonian algorithm

Hiroyuki Teramae, Takayoshi Ishimoto, Umpei Nagashima

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 1.86 MB

english, 2011

19

Extrahepatic biliary cystadenocarcinoma arising from the left hepatic duct

Hiroyuki Kimura, Keizo Kagawa, Takeshi Deguchi, Yoshio Sumida, Kouji You, Toshiyuki Komaki, Naoki Teramae, Susumu Fukui, Sadao Kawakami, Yoshihiro Fujita

Journal:

Journal of Gastroenterology

Year:

1998

Language:

english

File:

PDF, 535 KB

english, 1998

20

Calculation of the conformational dependence of valence and Rydberg states in n-tetrasilane

Raül Crespo, Hiroyuki Teramae, Dean Antic, Josef Michl

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 542 KB

english, 1999

21

Case of cheilitis granulomatosa associated with apical periodontitis

Tomoko KAWAKAMI, Kazuyoshi FUKAI, Junko SOWA, Masamitsu ISHII, Hiroyuki TERAMAE, Koutetsu KANAZAWA

Journal:

The Journal of Dermatology

Year:

2008

Language:

english

File:

PDF, 1.31 MB

english, 2008

22

Theoretical study on the reaction mechanism of formation of 3,5-diacetyl-1,4-dihydrolutidine

Hiroyuki Teramae, Yasuko Y. Maruo

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 1.09 MB

english, 2012

23

Electronic states of mixed base pairs systems of dna and the effect of base composition and sequences on the band structures using screw axis translational symmetry

Peng Xie, Hiroyuki Teramae, Kai Liu, Yuriko Aoki

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 1.93 MB

english, 2012

24

A molecular orbital theoretical study on the hydrogen atom in magnesium clusters

Hiroyuki Teramae, Kazuyoshi Tanaka, Tokio Yamabe

Journal:

Journal of the Less Common Metals

Year:

1982

Language:

english

File:

PDF, 467 KB

english, 1982

25

Hierarchically structured periodic mesoporous silica by vapor phase synthesis

Limin Guo, Yong Fan, Hiroyuki Arafune, Norio Teramae

Journal:

Microporous and Mesoporous Materials

Year:

2012

Language:

english

File:

PDF, 1.66 MB

english, 2012

26

Fluorescence detection of cytosine/guanine transversion based on a hydrogen bond forming ligand

Seiichi Nishizawa, Keitaro Yoshimoto, Takehiro Seino, Chun-Yan Xu, Masakazu Minagawa, Hiroyuki Satake, Aijun Tong, Norio Teramae

Journal:

Year:

2004

Language:

english

File:

PDF, 166 KB

english, 2004

27

Inflammatory vitiligo in Vogt-Koyanagi-Harada disease

Daisuke Tsuruta, Toshio Hamada, Hiroyuki Teramae, Hidenori Mito, Masamitsu Ishii

Journal:

Journal of the American Academy of Dermatology

Year:

2001

Language:

english

File:

PDF, 105 KB

english, 2001

28

AB initio MO study of acetylene adsorbed on Ni(111) surface

Hisayoshi Kobayashi, Hiroyuki Teramae, Tokio Yamabe, Masaru Yamaguchi

Journal:

Surface Science

Year:

1984

Language:

english

File:

PDF, 709 KB

english, 1984

29

Synthesis of Mesoporous Metal Oxide by the Thermal Decomposition of Oxalate Precursor

Guo, Limin, Arafune, Hiroyuki, Teramae, Norio

Journal:

Year:

2013

Language:

english

File:

PDF, 2.35 MB

english, 2013

30

Electronic structure of chainlike polysilane

Takeda, Kyozaburo., Teramae, Hiroyuki., Matsumoto, Nobuo.

Journal:

Journal of the American Chemical Society

Year:

1986

Language:

english

File:

PDF, 602 KB

english, 1986

31

Study on the behavior of energy convergence in ab initio crystal orbital calculations

Hiroyuki Teramae

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1996

Language:

english

File:

PDF, 1.31 MB

english, 1996

32

Theoretical study on the nature of the bonding and tautomerism in complexes with the tetrahydroborate anion

Hori, Kenzi, Saito, Goro, Teramae, Hiroyuki

Journal:

Journal of Physical Chemistry

Year:

1988

Language:

english

File:

PDF, 717 KB

english, 1988

33

Ab initio studies on silicon compounds. Part II. The gauche structure of the parent polysilane

Teramae, Hiroyuki, Takeda, Kyozaburo

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 604 KB

english, 1989

34

Theoretical study of intramolecular interaction energies during dynamics simulations of oligopeptides by the fragment molecular orbital-Hamiltonian algorithm method

Ishimoto, Takayoshi, Tokiwa, Hiroaki, Teramae, Hiroyuki, Nagashima, Umpei

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 310 KB

english, 2005

35

AB initio study on the CIS-TRANS energetics of polyacetylene

Teramae, Hiroyuki

Journal:

Synthetic Metals

Year:

1987

Language:

english

File:

PDF, 48 KB

english, 1987

36

Tunneling reaction path for the interaction of silicon atom and water

Tachibana, Akitomo, Koizumi, Masahiko, Teramae, Hiroyuki, Yamabe, Tokio

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 543 KB

english, 1987

37

Ab initio studies on a silicon compound. The electronic structure of disilene reconsidered

Teramae, Hiroyuki

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 367 KB

english, 1987

38

Trinucleotide duplex formation inside a confined nanospace under supercooled conditions

Arafune, Hiroyuki, Yamaguchi, Akira, Namekawa, Manato, Sato, Yusuke, Itoh, Tetsuji, Yoshida, Ryoko, Teramae, Norio

Journal:

Nature Communications

Year:

2014

Language:

english

File:

PDF, 698 KB

english, 2014

39

.sigma.-Conjugation in a Periodic Polycarbosilane, Poly[1,1,2,2-tetramethyldisilylene)methylene]

Isaka, Hiroaki, Teramae, Hiroyuki, Fujiki, Michiya, Matsumoto, Nobuo

Journal:

Year:

1995

Language:

english

File:

PDF, 302 KB

english, 1995

40

Electronic Structures of Polymers Containing Carbon Multiple Bond and Disilane Units in Their Backbone †

Maxka, Jim, Teramae, Hiroyuki

Journal:

Year:

1999

Language:

english

File:

PDF, 167 KB

english, 1999

41

An MO theoretical study on the dications of tetrasulfur, tetraselenium, and tetratellurium

Tanaka, Kazuyoshi, Yamabe, Tokio, Teramae, Hiroyuki, Fukui, Kenichi

Journal:

Inorganic Chemistry

Year:

1979

Language:

english

File:

PDF, 631 KB

english, 1979

42

Electronic Structure of Polycarbosilane Studied by UV Photoelectron Spectroscopy

Sakurai, Yoko, Yoshimura, Daisuke, Ishii, Hisao, Ouchi, Yukio, Isaka, Hiroaki, Teramae, Hiroyuki, Matsumoto, Nobuo, Hasegawa, Shinji, Ueno, Nobuo, Seki, Kazuhiko

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 52 KB

english, 2001

43

Gauche, Ortho, and Anti Conformations of Saturated A 4 X 10 Chains: When Will All Six Conformers Exist?

Neumann, Frank, Teramae, Hiroyuki, Downing, John W., Michl, Josef

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 271 KB

english, 1998

44

Ab initio studies on silicon compounds. 3. The trans-gauche mixed structure of parent polysilane

Matsumoto, Nobuo, Teramae, Hiroyuki

Journal:

Journal of the American Chemical Society

Year:

1991

Language:

english

File:

PDF, 690 KB

english, 1991

45

Fluorescence detection of guanine?adenine transition by a hydrogen bond forming small compound

Yoshimoto, Keitaro, Xu, Chun-Yan, Nishizawa, Seiichi, Haga, Takanobu, Satake, Hiroyuki, Teramae, Norio

Journal:

Chemical Communications

Year:

2003

Language:

english

File:

PDF, 180 KB

english, 2003

46

Reply to the comment of J. Ladik on “electronic states of mixed base pairs systems of DNA and the effect of base composition and sequences on the band structures using screw axis translational symmetry”

Xie, Peng, Teramae, Hiroyuki, Liu, Kai, Aoki, Yuriko

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 57 KB

english, 2014

47

A comprehensive search of topologically distinct local minimum structures of protonated water octamer and the classification of OH topological types

Akase, Dai, Teramae, Hiroyuki, Aida, Misako

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

48

Ab initio studies on the geometrical and vibrational structures of polymers

Teramae, Hiroyuki, Yamabe, Tokio, Imamura, Akira

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 888 KB

english, 1984

49

Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order–Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound

Suzuki, Mitsuaki, Maeda, Yutaka, Akita, Motoko, Teramae, Hiroyuki, Kobayashi, Keiji

Journal:

Crystal Growth & Design

Year:

2014

Language:

english

File:

PDF, 3.79 MB

english, 2014

50

Ab initio study on the cis–trans energetics of polyacetylene

Teramae, Hiroyuki

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 712 KB

english, 1986