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(n.d.) International Journal of Molecular Sciences Vol. 3. MDPI AG

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Reference TypeJournal (volume)
JournalInternational Journal of Molecular Sciences
PublisherMDPI AG
Mindat Ref. ID10054529Long-form Identifiermindat:1:5:10054529:0
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Full Reference(n.d.) International Journal of Molecular Sciences Vol. 3. MDPI AG
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Proykova, Ana (2002) Foreword to the Special Issue Devoted to Professor R. S. Berry's 70th Birthday. International Journal of Molecular Sciences, 3. 1 doi:10.3390/i3010001
Proykova, Ana (2002) R. Stephen Berry. International Journal of Molecular Sciences, 3. 2-3 doi:10.3390/i3010002
Wang, J., Kais, Sabre, Levine, R. (2002) Real-space renormalization group study of the Hubbard model on a non-bipartite lattice. International Journal of Molecular Sciences, 3. 4-16 doi:10.3390/i3010004
Alves, Nelson, Hansmann, Ulrich, Peng, Yong (2002) Structural transitions in biomolecules - a numerical comparison of two approaches for the study of phase transitions in small systems. International Journal of Molecular Sciences, 3. 17-29 doi:10.3390/i3010017
Hunjan, Jagtar, Ramaswamy, R. (2002) Global Optimization by Adiabatic Switching. International Journal of Molecular Sciences, 3. 30-37 doi:10.3390/i3010030
Li, Feng-Yin, Chen, Likey, Mou, Chung-Yuan, Peng, Shie-Ming, Wang, Yu (2002) From Metal Cluster to Metal Nanowire: A Topological Analysis of Electron Density and Band Structure Calculation. International Journal of Molecular Sciences, 3. 38-55 doi:10.3390/i3010038
Hirashima, Akinori, Morimoto, Masako, Ohta, Hiroto, Kuwano, Eiichi, Taniguchi, Eiji, Eto, Morifusa (2002) Three-Dimensional Common-Feature Hypotheses for Octopamine Agonist 1-Arylimidazolidine-2-Thiones. International Journal of Molecular Sciences, 3. 56-68 doi:10.3390/i3020056
Berkus, T., Reinhard, P.-G., Suraud, E. (2002) Dynamical Effects in the Optical Response of Carbon Chains. International Journal of Molecular Sciences, 3. 69-75 doi:10.3390/i3020069
Piña, E., De la Selva, S.M.T. (2002) Conservation Equations for Chemical Elements in Fluids with Chemical Reactions. International Journal of Molecular Sciences, 3. 76-86 doi:10.3390/i3020076
Ghosh, Dulal, Biswas, Raka (2002) Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii. International Journal of Molecular Sciences, 3. 87-113 doi:10.3390/i3020087
Lin, Shu-Kun (2002) The Law of Mass Action. International Journal of Molecular Sciences, 3. 232-233 doi:10.3390/i3030232
Bacchus-Montabonel, Marie-Christine (2002) Charge Transfer in Ionic and Molecular Systems. International Journal of Molecular Sciences, 3. 114 doi:10.3390/i3030114
Frémont, François, Laurent, Guillaume, Rangama, Jimmy, Sobocinski, Przemyslaw, Tarisien, Medhi, Adoui, Lamri, Cassimi, Amine, Chesnel, Jean-Yves, Fléchard, Xavier, Hennecart, Dominique, Husson, Xavier (2002) Electron Capture in Collisions of Slow Highly Charged Ions with an Atom and a Molecule: Processes and Fragmentation Dynamics. International Journal of Molecular Sciences, 3. 115-131 doi:10.3390/i3030115
Lin, C., Reiser, Ingrid (2002) Alignment-Dependent Atomic Model for Electron Transfer in Ion-Molecule Collisions. International Journal of Molecular Sciences, 3. 132-141 doi:10.3390/i3030132
Errea, L., Macías, A., Méndez, L., Rabadán, I., Riera, A. (2002) Charge Exchange in Low-Energy H, D + C4+ Collisions with Full Account of Electron Translation. International Journal of Molecular Sciences, 3. 142-161 doi:10.3390/i3030142
Kearns, D., McCullough, R., Gilbody, H. (2002) Studies of Electron Capture by Multiply Charged Ions from Molecules using Translational Energy Spectroscopy. International Journal of Molecular Sciences, 3. 162-175 doi:10.3390/i3030162
Bacchus-Montabonel, Marie-Christine, Baloïtcha, Ezinvi, Desouter-Lecomte, Michèle, Vaeck, Nathalie (2002) Rate Coefficient Determination in Charge Transfer Reactions. International Journal of Molecular Sciences, 3. 176-189 doi:10.3390/i3030176
Albu, Mihaela, Mrazek, Libor, Aumayr, Friedrich, Winter, Hannspeter (2002) Single Electron Capture in Slow Collisions of Doubly Charged Ions with Dinuclear Molecules. International Journal of Molecular Sciences, 3. 209-219 doi:10.3390/i3030209
Cooper, D., Stancil, P., Turner, A., Wang, J., Clarke, N., Zygelman, B. (2002) Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach. International Journal of Molecular Sciences, 3. 220-229 doi:10.3390/i3030220
Linert, W. (2002) Highlights in Solute-Solvent Interactions. International Journal of Molecular Sciences, 3. 230-231 doi:10.3390/i3030230
Belyaev, A., Grosser, J., Liévin, J., Vaeck, N. (2002) Charge Exchange in Low-Energy H, D + C4+ Collisions with Full Account of Electron Translation. International Journal of Molecular Sciences, 3. 190-208 doi:10.3390/i3030190
Chatterjee, Abhijit (2002) Special Issue on Application of Density Functional Theory in Chemical Reactions. International Journal of Molecular Sciences, 3. 234-236 doi:10.3390/i3040234
Nalewajski, Roman (2002) Applications of the Information Theory to Problems of Molecular Electronic Structure and Chemical Reactivity. International Journal of Molecular Sciences, 3. 237-259 doi:10.3390/i3040237
Ghosh, Swapan (2002) Density Functional Theory and Materials Modeling at Atomistic Length Scales. International Journal of Molecular Sciences, 3. 260-275 doi:10.3390/i3040260
Geerlings, P., De Proft, F. (2002) Chemical Reactivity as Described by Quantum Chemical Methods. International Journal of Molecular Sciences, 3. 276-309 doi:10.3390/i3040276
Chandra, Asit, Nguyen, Minh (2002) Use of Local Softness for the Interpretation of Reaction Mechanisms. International Journal of Molecular Sciences, 3. 310-323 doi:10.3390/i3040310
Chandrakumar, K., Pal, Sourav (2002) The Concept of Density Functional Theory Based Descriptors and its Relation with the Reactivity of Molecular Systems: A Semi-Quantitative Study. International Journal of Molecular Sciences, 3. 324-337 doi:10.3390/i3040324
Chattaraj, P., Maiti, B. (2002) Chemical Reactivity Dynamics and Quantum Chaos in Highly Excited Hydrogen Atoms in an External Field: A Quantum Potential Approach. International Journal of Molecular Sciences, 3. 338-359 doi:10.3390/i3040338
Gräfenstein, Jürgen, Kraka, Elfi, Filatov, Michael, Cremer, Dieter (2002) Can Unrestricted Density-Functional Theory Describe Open Shell Singlet Biradicals?. International Journal of Molecular Sciences, 3. 360-394 doi:10.3390/i3040360
Boero, Mauro, Terakura, Kiyoyuki, Parrinello, Michele (2002) First Principles Molecular Dynamics Study of Catalysis for Polyolefins: the Ziegler-Natta Heterogeneous System. International Journal of Molecular Sciences, 3. 395-406 doi:10.3390/i3040395
Chandra, Asit, Uchimaru, Tadafumi (2002) The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study. International Journal of Molecular Sciences, 3. 407-422 doi:10.3390/i3040407
Govind, Niranjan, Andzelm, Jan, Reindel, Kurt, Fitzgerald, George (2002) Zeolite-Catalyzed Hydrocarbon Formation from Methanol: Density Functional Simulations. International Journal of Molecular Sciences, 3. 423-434 doi:10.3390/i3040423
Broclawik, Ewa, Datka, Jerzy, Gil, Barbara, Kozyra, Pawel (2002) Nature of Copper Active Sites in CuZSM-5: Theory and Experiment. International Journal of Molecular Sciences, 3. 435-444 doi:10.3390/i3040435
Pal, Sourav (2002) Special Issue on Recent Advances in Coupled Cluster Theory. International Journal of Molecular Sciences, 3. 445-446 doi:10.3390/i3050445
Prasad, M. (2002) Time Dependent Coupled Cluster Approach to Resonance Raman Excitation Profiles from General Anharmonic Surfaces. International Journal of Molecular Sciences, 3. 447-458 doi:10.3390/i3050447
Ten-no, Seiichiro, Hino, Osamu (2002) New Transcorrelated Method Improving the Feasibility of Explicitly Correlated Calculations. International Journal of Molecular Sciences, 3. 459-474 doi:10.3390/i3050459
Piecuch, Piotr, Kowalski, Karol, Pimienta, Ian (2002) Method of Moments of Coupled-Cluster Equations: Externally Corrected Approaches Employing Configuration Interaction Wave Functions. International Journal of Molecular Sciences, 3. 475-497 doi:10.3390/i3050475
Landau, Arie, Eliav, Ephraim, Visscher, Lucas, Kaldor, Uzi (2002) Potential Functions of Al2 by the Relativistic Fock-Space Coupled Cluster Method. International Journal of Molecular Sciences, 3. 498-507 doi:10.3390/i3050498
Noga, Jozef, Szabados, Agnes, Surján, Péter (2002) On the Use of Connected Moments Expansion with Coupled Cluster Reference. International Journal of Molecular Sciences, 3. 508-521 doi:10.3390/i3050508
Adamowicz, Ludwik, Malrieu, Jean–Paul, Ivanov, Vladimir (2002) Alternative Multi–reference State–specific Coupled Cluster Wave Functions. International Journal of Molecular Sciences, 3. 522-549 doi:10.3390/i3050522
Jana, Debasis, Mahapatra, Uttam, Mukherjee, Debashis (2002) Use of a New Cluster Ansatz to Treat Strong Relaxation and Correlation Effects: A Direct Method for Energy Differences. International Journal of Molecular Sciences, 3. 550-569 doi:10.3390/i3050550
Hubac, I., Wilson, S. (2002) On the Estimation of the Remainder Term in Møller-Plesset MP2 Theory from Limited Configuration Interaction. International Journal of Molecular Sciences, 3. 570-578 doi:10.3390/i3050570
Bartlett, Rodney (2002) To Multireference or not to Multireference: That is the Question?. International Journal of Molecular Sciences, 3. 579-603 doi:10.3390/i3060579
Cremer, Dieter, Filatov, Michael, Polo, Victor, Kraka, Elfi, Shaik, Sason (2002) Implicit and Explicit Coverage of Multi-reference Effects by Density Functional Theory. International Journal of Molecular Sciences, 3. 604-638 doi:10.3390/i3060604
Shavitt, Isaiah (2002) Multi-state Multireference Rayleigh–Schrödinger Perturbation Theory for Mixed Electronic States: Second and Third Order. International Journal of Molecular Sciences, 3. 639-655 doi:10.3390/i3060639
Nooijen, Marcel (2002) State Selective Equation of Motion Coupled Cluster Theory: Some Preliminary Results. International Journal of Molecular Sciences, 3. 656-675 doi:10.3390/i3060656
Piecuch, Piotr, Kowalski, Karol (2002) The State-Universal Multi-Reference Coupled-Cluster Theory: An Overview of Some Recent Advances. International Journal of Molecular Sciences, 3. 676-709 doi:10.3390/i3060676
Shamasundar, K., Pal, Sourav (2002) Higher Energy Derivatives in Hilbert Space Multi-Reference Coupled Cluster Theory : A Constrained Variational Approach. International Journal of Molecular Sciences, 3. 710-732 doi:10.3390/i3060710
Ghosh, Pradipta, Chattopadhyay, Sudip, Jana, Debasis, Mukherjee, Debashis (2002) State-specific Multi-reference Perturbation Theories with Relaxed Coefficients: Molecular Applications. International Journal of Molecular Sciences, 3. 733-754 doi:10.3390/i3060733
Areán, C., Palomino, G., Tsyganenko, A., Garrone, E. (2002) Quantum Chemical and FTIR Spectroscopic Studies on the Linkage Isomerism of Carbon Monoxide in Alkali-Metal-Exchanged Zeolites: A Review of Current Research. International Journal of Molecular Sciences, 3. 764-776 doi:10.3390/i3070764
Das Graças Cardoso, Maria, Nelson, David, Tavares do Amaral, Antônia, Dos Santos, Custódio, De Abreu Pereira, Alcilene, De Oliveira, Ana (2002) Reverse Phase Thin Layer Chromatography of Aminoalkanethiosulfuric Acids, Mercaptoalkanamines and Aminoalkyl Disulfides. International Journal of Molecular Sciences, 3. 755-763 doi:10.3390/i3070755
Kanakaraju, R., Kolandaivel, P. (2002) Post Hartree–Fock and DFT Studies on Pyrrole···Nitrogen and Pyrrole···Carbon Monoxide Molecules. International Journal of Molecular Sciences, 3. 777-789 doi:10.3390/i3070777
Harrane, Amine, Meghabar, Rachid, Belbachir, Mohammed (2002) A Protons Exchanged Montmorillonite Clay as an Efficient Catalyst for the Reaction of Isobutylene Polymerization. International Journal of Molecular Sciences, 3. 790-800 doi:10.3390/i3070790
Zilberberg, Igor, Pelmenschikov, Alexander, Mcgrath, Christian, Davis, William, Leszczynska, Danuta, Leszczynski, Jerzy (2002) Reduction of Nitroaromatic Compounds on the Surface of Metallic Iron: Quantum Chemical Study. International Journal of Molecular Sciences, 3. 801-813 doi:10.3390/i3070801
Dodziuk, Helena (2002) Among Synthetic, Supramolecular and Theoretical Chemistry Stabilization of Short-lived Species in “Molecular’ or ‘Supramolecular Flasks’. International Journal of Molecular Sciences, 3. 814-821 doi:10.3390/i3070814
Pankratov, Alexei, Zhelezko, Oxana (2002) Quantitative Structure–Property Relationships for Aryldiazonia. International Journal of Molecular Sciences, 3. 822-855 doi:10.3390/i3070822
Ferraro, Marta (2002) Special Issue on Recent Advances in Nuclear Magnetic Shielding Theory. International Journal of Molecular Sciences, 3. 856-857 doi:10.3390/i3080856
Anderson, Karen, Merwin, Lawrence, Wilson, William, Facelli, Julio (2002) 15N Chemical Shifts in Energetic Materials: CP/MAS and ab Initio Studies of Aminonitropyridines, Aminonitropyrimidines, and Their N-Oxides. International Journal of Molecular Sciences, 3. 858-872 doi:10.3390/i3080858
Moore, Elaine (2002) Ab Initio Calculations of Co Shielding in Model Complexes. International Journal of Molecular Sciences, 3. 873-887 doi:10.3390/i3080873
Alam, Todd (2002) Ab Initio Calculations of 31P NMR Chemical Shielding Anisotropy Tensors in Phosphates: Variations Due to Ring Formation. International Journal of Molecular Sciences, 3. 888-906 doi:10.3390/i3080888
Hori, S., Yamauchi, K., Kuroki, S., Ando, I. (2002) Proton NMR Chemical Shift Behavior of Hydrogen-Bonded Amide Proton of Glycine-Containing Peptides and Polypeptides as Studied by ab initio MO Calculation. International Journal of Molecular Sciences, 3. 907-913 doi:10.3390/i3080907
Romero, Rodolfo, Aucar, Gustavo (2002) Self-energy Effects on Nuclear Magnetic Resonance Parameters within Quantum Electrodynamics Perturbation Theory. International Journal of Molecular Sciences, 3. 914-930 doi:10.3390/i3080914
Tchounwou, Paul, Yu, Hongtao (2002) Special Issue on Recent Advances in Environmental Health Research: Health Disparities, Toxicology and Carcinogenesis. International Journal of Molecular Sciences, 3. 931-933 doi:10.3390/i3090931
McNairy, Sidney (2002) A Message from the Director. International Journal of Molecular Sciences, 3. 934-936 doi:10.3390/i3090934
Dong, Shiming, Wang, Shuguang, Stewart, Gernerique, Hwang, Huey-Min, Fu, Peter, Yu, Hongtao (2002) Effect of Organic Solvents and Biologically Relevant Ions on the Light-Induced DNA Cleavage by Pyrene and Its Amino and Hydroxy Derivatives. International Journal of Molecular Sciences, 3. 937-947 doi:10.3390/i3090937
Fu, Peter, Xia, Qingsu, Lin, Ge, Chou, Ming (2002) Genotoxic Pyrrolizidine Alkaloids — Mechanisms Leading to DNA Adduct Formation and Tumorigenicity. International Journal of Molecular Sciences, 3. 948-964 doi:10.3390/i3090948
Sutton, Dwayne, Tchounwou, Paul, Ninashvili, Nanuli, Shen, Elaine (2002) Mercury Induces Cytotoxicity and Transcriptionally Activates Stress Genes in Human Liver Carcinoma (HepG2) Cells. International Journal of Molecular Sciences, 3. 965-984 doi:10.3390/i3090965
Cohly, H., Hammet, C., Angel, M., Kanji, V., Taylor, A., Benghuzzi, H., Markov, A. (2002) Effect of Turmerin on Endothelial Denudation by Air Drying. International Journal of Molecular Sciences, 3. 985-991 doi:10.3390/i3090985
Dorsey, Waneene, Tchounwou, Paul, Ishaque, Ali, Shen, Elaine (2002) Transcriptional Activation of Stress Genes and Cytotoxicity in Human Liver Carcinoma (HepG2) Cells Exposed to Pentachlorophenol. International Journal of Molecular Sciences, 3. 992-1007 doi:10.3390/i3090992
Wu, Yuh-Shen, Fang, Guor-Cheng, Moody, Joanna, Von Tungeln, Linda, Fu, Peter, Hwang, Huey-Min, Yu, Hongtao (2002) In Vitro Metabolism of Dibenzo[a,l]pyrene, 2-Chlorodibenzo [a,l]pyrene and 10-Chlorodibenzo[a,l]pyrene - Effects of Chloro Substitution. International Journal of Molecular Sciences, 3. 1008-1018 doi:10.3390/i3091008
Yan, Jian, Nichols, Jasyl, Yang, Ya-Cheng, Fu, Peter, Chou, Ming (2002) Detection of Riddelliine-Derived DNA Adducts in Blood of Rats Fed Riddelliine. International Journal of Molecular Sciences, 3. 1019-1026 doi:10.3390/i3091019
Bischoff, Steve, Kahn, Mahfuz, Powell, Michael, Kirlin, Ward (2002) SELDI-TOF-MS Analysis of Transcriptional Activation Protein Binding to Response Elements Regulating Carcinogenesis Enzymes. International Journal of Molecular Sciences, 3. 1027-1038 doi:10.3390/i3101027
Cohly, H., Koelle, M., Angel, M., Das, S., Shingleton, W. (2002) Pilot Study: A Non-Invasive Urine Test for Potential Prostate Abnormalities. International Journal of Molecular Sciences, 3. 1039-1047 doi:10.3390/i3101039
Zeng, Kui, Hwang, Huey-min, Yuzuri, Hongtao (2002) Effect of Dissolved Humic Substances on the Photochemical Degradation Rate of 1-Aminopyrene and Atrazine. International Journal of Molecular Sciences, 3. 1048-1057 doi:10.3390/i3101048
Roth, William, Khan, Mafhuz, Geleziunas, Romas, Stringer, Harold, Zuberi, Jalal, Greene, Warner, Powell, Michael, Bond, Vincent (2002) Functionally-Impaired HIV-1 Nef Alleles from a Mother-Child Transmission Pair. International Journal of Molecular Sciences, 3. 1058-1072 doi:10.3390/i3101058
Zhu, Hong, Ho, Ing, Kramer, Robert, Baker, Rodney, Rockhold, Robin (2002) Methyl Parathion Masks Withdrawal from Physical Dependence on Morphine. International Journal of Molecular Sciences, 3. 1073-1081 doi:10.3390/i3101073
Tchounwou, Paul, Ashour, Bassem, Moreland-Young, Curtina, Ragheb, Didair, Romeh, Ahmed, Goma, El-Adarosy, El-Sheikh, Sayed, Lidell, Frances, Ibitayo, Olurominiyi, Assad, Jean-Claude (2002) Health Risk Assessment of Pesticide Usage in Menia El-Kamh Province of Sharkia Governorate in Egypt. International Journal of Molecular Sciences, 3. 1082-1094 doi:10.3390/i3101082
Mohaghegh, Rymond, Singleton, Jeurel, Shockley, Dolores (2002) The Influence of Environmental Temperatures on Neurotoxicity Induced by Methamphetamine in Male Rats. International Journal of Molecular Sciences, 3. 1095-1104 doi:10.3390/i3101095
Adeyemo, Oyewole, Wu, Rong, Parker, Scott, Benveniste, Etty, Hunter, Eric, Adebayo, Isaac (2002) Neurotoxic Activity of the HIV-1 Envelope Glycoprotein: Activation of Protein Kinase C in Rat Astrocytes. International Journal of Molecular Sciences, 3. 1105-1116 doi:10.3390/i3111105
Tchounwou, P., Wilson, B., Abdelghani, A., Ishaque, A., Patlolla, A. (2002) Differential Cytotoxicity and Gene Expression in Human Liver Carcinoma (HepG2) Cells Exposed to Arsenic Trioxide, and Monosodium Acid Methanearsonate (MSMA). International Journal of Molecular Sciences, 3. 1117-1132 doi:10.3390/i3111117
Balarezo, Ana, Jones, Veleka, Yu, Hongtao, Hwang, Huey-Min (2002) Influence of Humic Acid on 1-Aminopyrene Ecotoxicity During Solar Photolysis Process. International Journal of Molecular Sciences, 3. 1133-1144 doi:10.3390/i3111133
Peng, Langu, Chen, Cunxiang, Gonzalez, Christian, Balogh-Nair, Valeria (2002) Bioorganic Studies in AIDS: Synthetic Antifungals Against Pneumocystis carinii Based on the Multivalency Concept. International Journal of Molecular Sciences, 3. 1145-1161 doi:10.3390/i3111145
Cohly, Hari, Scott, Heath, Ndebele, Kenneth, Jenkins, John, Angel, Michael (2002) Differential Gene Expression of Fibroblasts: Keloid versus Normal. International Journal of Molecular Sciences, 3. 1162-1176 doi:10.3390/i3111162
Punna, S., Jones, A., Reddy, P. (2002) Expression of Chemokines, MIP-1alpha and RANTES in Caprine Lentiviral Infection and Their Influence on Viral Replication. International Journal of Molecular Sciences, 3. 1177-1187 doi:10.3390/i3111177
Pitts, Conrad, Yin, Jian, Bowen, Donnell, Maxwell, Celia, Southerland, William (2002) Interaction Energy Analysis of Nonclassical Antifolates with Pneumocystis carinii Dihydrofolate Reductase. International Journal of Molecular Sciences, 3. 1188-1202 doi:10.3390/i3111188

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