Works matching DE "MOLECULAR energy levels (Quantum mechanics)"

Results: 32

VALD: The Meeting Point of Data Producers and Data Users.

Published in:

Galaxies (2075-4434), 2018, v. 6, n. 3, p. 93, doi. 10.3390/galaxies6030093

By:

Ryabchikova, Tatiana;
Pakhomov, Yury;
Piskunov, Nikolai

Publication type:

Article

Electronic transport through short ds DNA measured with mechanically controlled break junctions: New thiol-gold binding protocol improves conductance.

Published in:

Physica Status Solidi (B), 2013, v. 250, n. 11, p. 2342, doi. 10.1002/pssb.201349158

By:

Liu, S. P.;
Artois, J.;
Schmid, D.;
Wieser, M.;
Bornemann, B.;
Weisbrod, S.;
Marx, A.;
Scheer, E.;
Erbe, A.

Publication type:

Article

Resonance energies, lifetimes and complex energy potential curves from standard wave-packet calculations.

Published in:

Molecular Physics, 2012, v. 110, n. 9/10, p. 537, doi. 10.1080/00268976.2012.662599

By:

Goldzak, Tamar;
Gilary, Ido;
Moiseyev, Nimrod

Publication type:

Article

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations.

Published in:

ChemSusChem, 2016, v. 9, n. 14, p. 1745, doi. 10.1002/cssc.201600882

By:

Kuisma, Mikael;
Lundin, Angelica;
Moth‐Poulsen, Kasper;
Hyldgaard, Per;
Erhart, Paul

Publication type:

Article

The Hellmann-Feynman theorem: a perspective.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 9, p. 1, doi. 10.1007/s00894-018-3784-7

By:

Politzer, Peter;
Murray, Jane S.

Publication type:

Article

Accurate Simulation of Efimov Physics in Ultracold Atomic Gases with Realistic Three-Body Multichannel Interactions.

Published in:

Few-Body Systems, 2024, v. 65, n. 4, p. 1, doi. 10.1007/s00601-024-01954-w

By:

Kraats, J. van de;
Kokkelmans, S. J. J. M. F.

Publication type:

Article

Chemistry of Heterocyclic Compounds In Silico.

Published in:: Chemistry of Heterocyclic Compounds, 2014, v. 50, n. 3, p. 309, doi. 10.1007/s10593-014-1478-3
Publication type:: Article

Theoretical Study of M2X4 (M=C, X=H, F and Cl) Structures by using HOMO, LUMO, NBO and NMR analysis.

Published in:

International Journal of New Chemistry, 2021, v. 8, n. 2, p. 198, doi. 10.22034/ijnc.2020.122648.1100

By:

Mahmoudzadeh, Golrokh

Publication type:

Article

The effects of intermolecular energy transfers on power cycle efficiency.

Published in:

Physics Essays, 2017, v. 30, n. 2, p. 224, doi. 10.4006/0836-1398-30.2.224

By:

Van Den Einde, David

Publication type:

Article

High‐Performance, Single‐Component Ambipolar Organic Electrochemical Transistors with Balanced n/p‐Type Properties for Inverter and Biosensor Applications.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 2, p. 1, doi. 10.1002/adfm.202413112

By:

Qi, Guangyu;
Wang, Minning;
Wang, Shijie;
Zhang, Sen;
Teng, Xinru;
Bai, Hairui;
Wang, Bingjun;
Zhao, Chao;
Su, Wenyan;
Fan, Qunping;
Ma, Wei

Publication type:

Article

Energy Landscapes for the Self-Assembly of Supramolecular Polyhedra.

Published in:

Journal of Nonlinear Science, 2016, v. 26, n. 3, p. 663, doi. 10.1007/s00332-016-9286-9

By:

Russell, Emily;
Menon, Govind

Publication type:

Article

Using an Organic Molecule with Low Triplet Energy as a Host in a Highly Efficient Blue Electrophosphorescent Device.

Published in:

Angewandte Chemie International Edition, 2014, v. 53, n. 8, p. 2147, doi. 10.1002/anie.201308046

By:

Fan, Cong;
Zhu, Liping;
Liu, Tengxiao;
Jiang, Bei;
Ma, Dongge;
Qin, Jingui;
Yang, Chuluo

Publication type:

Article

Conductive Graphene–Polyethylene Terephthalate Composite Yarns with Synergistic Multiwalled Carbon Nanotube Additives by Melt‐Spinning.

Published in:

Advanced Engineering Materials, 2025, v. 27, n. 1, p. 1, doi. 10.1002/adem.202401629

By:

Jin, Yuzhu;
Kang, Yue;
Hu, Shuyan;
Lu, Yaping;
Zhao, Zengcai;
Wu, Dihua;
Su, Weitao;
Li, Yuan;
Fan, Qiaolan;
Zhou, Yangxin

Publication type:

Article

Optical and Optoelectronic Studies of Binary and Ternary Films of Poly(L-Tryptophane), Poly(5-hydroxy-L-tryptophane), and P(TER-CO-TRI) Doped with Sudan Dye.

Published in:

ARO: The Scientific Journal of Koya University, 2023, v. 11, n. 1, p. 105, doi. 10.14500/aro.11103

By:

Rahim, Barham K.;
Amin, Peshawa O.;
Muhammadsharif, Fahmi F.;
Saeed, Salah R.;
Ketuly, Kamal A.

Publication type:

Article

Functionalized thienoacridines: synthesis, optoelectronic, and structural properties.

Published in:

Canadian Journal of Chemistry, 2014, v. 92, n. 11, p. 1106, doi. 10.1139/cjc-2014-0348

By:

Robertson, Sean F.;
Leitch, Alicea A.;
Korobkov, Ilia;
Soldatov, Dmitriy V.;
Brusso, Jaclyn L.

Publication type:

Article

Molecular energies of the improved Tietz potential energy model.

Published in:

Canadian Journal of Chemistry, 2014, v. 92, n. 3, p. 201, doi. 10.1139/cjc-2013-0466

By:

Tang, Hong-Ming;
Liang, Guang-Chuan;
Zhang, Lie-Hui;
Zhao, Feng;
Jia, Chun-Sheng

Publication type:

Article

Net energy levels on the lipid profile of pork.

Published in:

Ciência Rural, 2017, v. 47, n. 10, p. 1, doi. 10.1590/0103-8478cr20170189

By:

da Silva Alencar, Stephan Alexander;
Kiefer, Charles;
de Souza Nascimento, Karina Márcia Ribeiro;
Henrique Viana, Luiz;
Piano Gonçalves, Liliane Maria;
Cipriano Rocha, Gabriel;
Corassa, Anderson;
dos Santos, Alexandre Pereira

Publication type:

Article

A first-prototype multi-determinant X-ray constrained wavefunction approach: the X-ray constrained extremely localized molecular orbital-valence bond method.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2017, v. 73, n. 4, p. 312, doi. 10.1107/S2053273317005903

By:

Genoni, Alessandro

Publication type:

Article

Spectroscopic Investigations and DFT Calculations on 3-(Diacetylamino)-2-ethyl-3H-quinazolin-4-one.

Published in:

Journal of Spectroscopy, 2016, p. 1, doi. 10.1155/2016/5396439

By:

Sert, Yusuf;
Ucun, Fatih;
El-Hiti, Gamal A.;
Smith, Keith;
Hegazy, Amany S.

Publication type:

Article

Design and synthesis of pyromellitic diimide-based donor-acceptor conjugated polymers for photovoltaic application.

Published in:

Polymers for Advanced Technologies, 2014, v. 25, n. 8, p. 809, doi. 10.1002/pat.3304

By:

Luo, Chunhua;
Shen, Zhitao;
Meng, Xiangjian;
Han, Li;
Sun, Shuo;
Lin, Tie;
Sun, Jinglan;
Peng, Hui;
Chu, Junhao

Publication type:

Article

Distance and Adjacency Energies of Multi-Level Wheel Networks.

Published in:

Mathematics (2227-7390), 2019, v. 7, n. 1, p. 43, doi. 10.3390/math7010043

By:

Liu, Jia-Bao;
Munir, Mobeen;
Yousaf, Amina;
Naseem, Asim;
Ayub, Khudaija

Publication type:

Article

Nonlinear wave trains in three-strand α-helical protein models.

Published in:

European Physical Journal B: Condensed Matter, 2013, v. 86, n. 9, p. 1, doi. 10.1140/epjb/e2013-40467-6

By:

Tabi, C.B.;
Mimshe Fewu, J.C.;
Ekobena Fouda, H.P.;
Mohamadou, A.;
Kofané, T.C.

Publication type:

Article

Effect of multiparticle correlations on the stability of electron-positron clusters.

Published in:

Journal of Experimental & Theoretical Physics, 2013, v. 117, n. 4, p. 631, doi. 10.1134/S1063776113120133

By:

Ipatov, A. N.;
Ivanov, V. K.;
Polozkov, R. G.

Publication type:

Article

Combining pressure and temperature control in dynamics on energy landscapes.

Published in:

European Physical Journal B: Condensed Matter, 2017, v. 90, n. 5, p. 1, doi. 10.1140/epjb/e2017-70510-5

By:

Hoffmann, Karl;
Christian Schön, J.

Publication type:

Article

Fused-Thiophene Based Materials for Organic Photovoltaics and Dye-Sensitized Solar Cells.

Published in:

Polymers (20734360), 2014, v. 6, n. 10, p. 2645, doi. 10.3390/polym6102645

By:

Kumaresan, Prabakaran;
Vegiraju, Sureshraju;
Ezhumalai, Yamuna;
Shueh Lin Yau;
Choongik Kim;
Wen-Hsi Lee;
Ming-Chou Chen

Publication type:

Article

Chemical Analysis of C10H11N3O3S - A Sulpha Drug.

Published in:

Journal of Scientific & Technical Research, 2016, v. 6, n. 2, p. 17

By:

Mishra, Bharti;
Tiwari, R. K.

Publication type:

Article

Potential of Nonfullerene Small Molecules with High Photovoltaic Performance.

Published in:

Chemistry - An Asian Journal, 2017, v. 12, n. 17, p. 2160, doi. 10.1002/asia.201700692

By:

Li, Wanning;
Yao, Huifeng;
Zhang, Hao;
Li, Sunsun;
Hou, Jianhui

Publication type:

Article

Impact of Fluorine Atoms on Perylene Diimide Derivative for Fullerene-Free Organic Photovoltaics.

Published in:

Chemistry - An Asian Journal, 2017, v. 12, n. 16, p. 2052, doi. 10.1002/asia.201700661

By:

Zhao, Liang;
Sun, Hua;
Liu, Xiaoyuan;
Liu, Changmei;
Shan, Haiquan;
Xia, Jiuxu;
Xu, Zongxiang;
Chen, Fei;
Chen, Zhi ‐ Kuan;
Huang, Wei

Publication type:

Article

Band Gap, Molecular Energy and Electrochromic Characterization of Electrosynthesized Hydroxymethyl 3,4-Ethylenedioxythiophene.

Published in:

Journal of Electronic Materials, 2017, v. 46, n. 3, p. 1669, doi. 10.1007/s11664-016-5210-1

By:

Co, Thien;
Tran, Tri;
Le, Hai;
Ho, Vu;
Tran, Lam

Publication type:

Article

Effect of Fluorination on the Photovoltaic Properties of Medium Bandgap Polymers for Polymer Solar Cells.

Published in:

Chinese Journal of Chemistry, 2018, v. 36, n. 6, p. 502, doi. 10.1002/cjoc.201800082

By:

Guo, Huan;
Li, Wanbin;
Chang, Chunmei;
Guo, Xia;
Zhang, Maojie

Publication type:

Article

Meeting Our New Associate Editors.

Published in:

Chinese Journal of Chemistry, 2018, v. 36, n. 1, p. 73, doi. 10.1002/cjoc.201880014

By:

Hou, Jianhui

Publication type:

Article

Nanoelectrical analysis of single molecules and atomic-scale materials at the solid/liquid interface.

Published in:

Nature Materials, 2014, v. 13, n. 10, p. 947, doi. 10.1038/nmat4060

By:

Nirmalraj, Peter;
Thompson, Damien;
Molina-Ontoria, Agustín;
Sousa, Marilyne;
Martín, Nazario;
Gotsmann, Bernd;
Riel, Heike

Publication type:

Article

Works matching DE "MOLECULAR energy levels (Quantum mechanics)"

VALD: The Meeting Point of Data Producers and Data Users.

Electronic transport through short ds DNA measured with mechanically controlled break junctions: New thiol-gold binding protocol improves conductance.

Resonance energies, lifetimes and complex energy potential curves from standard wave-packet calculations.

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations.

The Hellmann-Feynman theorem: a perspective.

Accurate Simulation of Efimov Physics in Ultracold Atomic Gases with Realistic Three-Body Multichannel Interactions.

Chemistry of Heterocyclic Compounds In Silico.

Theoretical Study of M<sub>2</sub>X<sub>4</sub> (M=C, X=H, F and Cl) Structures by using HOMO, LUMO, NBO and NMR analysis.

The effects of intermolecular energy transfers on power cycle efficiency.

High‐Performance, Single‐Component Ambipolar Organic Electrochemical Transistors with Balanced n/p‐Type Properties for Inverter and Biosensor Applications.

Energy Landscapes for the Self-Assembly of Supramolecular Polyhedra.

Using an Organic Molecule with Low Triplet Energy as a Host in a Highly Efficient Blue Electrophosphorescent Device.

Conductive Graphene–Polyethylene Terephthalate Composite Yarns with Synergistic Multiwalled Carbon Nanotube Additives by Melt‐Spinning.

Optical and Optoelectronic Studies of Binary and Ternary Films of Poly(L-Tryptophane), Poly(5-hydroxy-L-tryptophane), and P(TER-CO-TRI) Doped with Sudan Dye.

Functionalized thienoacridines: synthesis, optoelectronic, and structural properties.

Molecular energies of the improved Tietz potential energy model.

Net energy levels on the lipid profile of pork.

A first-prototype multi-determinant X-ray constrained wavefunction approach: the X-ray constrained extremely localized molecular orbital-valence bond method.

Spectroscopic Investigations and DFT Calculations on 3-(Diacetylamino)-2-ethyl-3H-quinazolin-4-one.

Design and synthesis of pyromellitic diimide-based donor-acceptor conjugated polymers for photovoltaic application.

Distance and Adjacency Energies of Multi-Level Wheel Networks.

Nonlinear wave trains in three-strand <i>α</i>-helical protein models.

Effect of multiparticle correlations on the stability of electron-positron clusters.

Combining pressure and temperature control in dynamics on energy landscapes.

Fused-Thiophene Based Materials for Organic Photovoltaics and Dye-Sensitized Solar Cells.

Chemical Analysis of C<sub>10</sub>H<sub>11</sub>N<sub>3</sub>O<sub>3</sub>S - A Sulpha Drug.

Potential of Nonfullerene Small Molecules with High Photovoltaic Performance.

Impact of Fluorine Atoms on Perylene Diimide Derivative for Fullerene-Free Organic Photovoltaics.

Band Gap, Molecular Energy and Electrochromic Characterization of Electrosynthesized Hydroxymethyl 3,4-Ethylenedioxythiophene.

Effect of Fluorination on the Photovoltaic Properties of Medium Bandgap Polymers for Polymer Solar Cells.

Meeting Our New Associate Editors.

Nanoelectrical analysis of single molecules and atomic-scale materials at the solid/liquid interface.